1.0 2016-09-30 22:54:04 UTC 2020-06-04 20:17:08 UTC BMDB0002322 BMDB02322 Cadaverine 1,5-Diaminopentane 1,5-Pentamethylenediamine 1,5-Pentanediamine DAPE Pentamethylenediamine PENTANE-1,5-diamine 1,5-Diaminopentane dihydrochloride Cadaverin Cadaverine dihydrochloride Pentamethylenediamine dihydrochloride BioDex 1 1,5 Pentanediamine C5H14N2 102.1781 102.115698458 pentane-1,5-diamine cadaverine 462-94-2 NCCCCCN InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine Aliphatic acyclic compounds alkane-alpha,omega-diamine an aliphatic α,ω-diamine Liquid melting_point 9 °C logp -0.27 ALOGPS logs -0.06 ALOGPS logp -0.4 ChemAxon pka_strongest_basic 10.51 ChemAxon iupac pentane-1,5-diamine ChemAxon average_mass 102.1781 ChemAxon mono_mass 102.115698458 ChemAxon smiles NCCCCCN ChemAxon formula C5H14N2 ChemAxon inchi InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 ChemAxon inchikey VHRGRCVQAFMJIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 52.04 ChemAxon refractivity 31.98 ChemAxon polarizability 13.11 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1736 Specdb::MsIr 1737 Specdb::MsIr 1738 Specdb::NmrTwoD 1810 Specdb::EiMs 1871 Specdb::MsMs 2055 Specdb::MsMs 2056 Specdb::MsMs 2057 Specdb::MsMs 5759 Specdb::MsMs 5760 Specdb::MsMs 5761 Specdb::MsMs 5762 Specdb::MsMs 5763 Specdb::MsMs 5768 Specdb::MsMs 20075 Specdb::MsMs 20076 Specdb::MsMs 20077 Specdb::MsMs 20516 Specdb::MsMs 20517 Specdb::MsMs 20518 Specdb::MsMs 21626 Specdb::MsMs 21627 Specdb::MsMs 21628 Specdb::MsMs 22067 Specdb::MsMs 22068 Specdb::MsMs 22069 Specdb::MsMs 445870 Specdb::MsMs 445871 Specdb::MsMs 445872 Specdb::MsMs 445873 Specdb::NmrOneD 1873 Specdb::NmrOneD 3871 Specdb::NmrOneD 4140 Specdb::NmrOneD 5097 Specdb::NmrOneD 5098 Specdb::NmrOneD 116218 Specdb::NmrOneD 116219 Specdb::NmrOneD 116220 Specdb::NmrOneD 116221 Specdb::NmrOneD 116222 Specdb::NmrOneD 116223 Specdb::NmrOneD 116224 Specdb::NmrOneD 116225 Specdb::NmrOneD 116226 Specdb::NmrOneD 116227 Specdb::NmrOneD 116228 Specdb::NmrOneD 116229 Specdb::NmrOneD 116230 Specdb::NmrOneD 116231 Specdb::NmrOneD 116232 Specdb::NmrOneD 116233 Specdb::NmrOneD 116234 Specdb::NmrOneD 116235 Specdb::NmrOneD 116236 Specdb::NmrOneD 116237 Specdb::CMs 812 Specdb::CMs 813 Specdb::CMs 814 Specdb::CMs 815 Specdb::CMs 1519 Specdb::CMs 2857 Specdb::CMs 30110 Specdb::CMs 30176 Specdb::CMs 30267 Specdb::CMs 30491 Specdb::CMs 30751 Specdb::CMs 31406 Specdb::CMs 169376 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Ruminal Fluid Detected by NMR in bovines in growth and fattening stages. Lee HJ, Jung JY, Oh YK, Lee SS, Madsen EL, Jeon CO: Comparative survey of rumen microbial communities and metabolites across one caprine and three bovine groups, using bar-coded pyrosequencing and (1)H nuclear magnetic resonance spectroscopy. Appl Environ Microbiol. 2012 Sep;78(17):5983-93. doi: 10.1128/AEM.00104-12. Epub 2012 Jun 15. 22706048 Ruminal Fluid Detected by NMR in bovines in growth and fattening stages. Lee HJ, Jung JY, Oh YK, Lee SS, Madsen EL, Jeon CO: Comparative survey of rumen microbial communities and metabolites across one caprine and three bovine groups, using bar-coded pyrosequencing and (1)H nuclear magnetic resonance spectroscopy. Appl Environ Microbiol. 2012 Sep;78(17):5983-93. doi: 10.1128/AEM.00104-12. Epub 2012 Jun 15. 22706048 Ruminal Fluid Detected by NMR in bovines in growth and fattening stages. Lee HJ, Jung JY, Oh YK, Lee SS, Madsen EL, Jeon CO: Comparative survey of rumen microbial communities and metabolites across one caprine and three bovine groups, using bar-coded pyrosequencing and (1)H nuclear magnetic resonance spectroscopy. Appl Environ Microbiol. 2012 Sep;78(17):5983-93. doi: 10.1128/AEM.00104-12. Epub 2012 Jun 15. 22706048 C01672 FDB001493 DB03854 13866593 273 18127 C00001403 CADAVERINE Cadaverine 3236