1.0 2016-09-30 22:43:31 UTC 2020-04-22 15:07:26 UTC BMDB0001276 BMDB01276 N1-Acetylspermidine 1-N-Acetylspermidine An N-acetylspermidine N(1)-Acetylspermidine N-(3-((4-Aminobutyl)amino)propyl)-acetamide N-(3-((4-Aminobutyl)amino)propyl)acetamide N-Acetylspermidine N1-Acetylspermidine C9H21N3O 187.2825 187.168462309 N-{3-[(4-aminobutyl)amino]propyl}acetamide N1-acetylspermidine 14278-49-0 CC(=O)NCCCNCCCCN InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13) MQTAVJHICJWXBR-UHFFFAOYSA-N belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). Organic compounds Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Carboximidic acids Dialkylamines Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Amine Carboximidic acid Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Aliphatic acyclic compounds acetylspermidine Solid logp -0.47 ALOGPS logs -1.60 ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 16.53 ChemAxon pka_strongest_basic 10.67 ChemAxon iupac N-{3-[(4-aminobutyl)amino]propyl}acetamide ChemAxon average_mass 187.2825 ChemAxon mono_mass 187.168462309 ChemAxon smiles CC(=O)NCCCNCCCCN ChemAxon formula C9H21N3O ChemAxon inchi InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13) ChemAxon inchikey MQTAVJHICJWXBR-UHFFFAOYSA-N ChemAxon polar_surface_area 67.15 ChemAxon refractivity 54.41 ChemAxon polarizability 23.11 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 3 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::CMs 2484 Specdb::CMs 164497 Specdb::MsMs 27296 Specdb::MsMs 27297 Specdb::MsMs 27298 Specdb::MsMs 33854 Specdb::MsMs 33855 Specdb::MsMs 33856 Specdb::MsMs 2726195 Specdb::MsMs 2726196 Specdb::MsMs 2726197 Specdb::MsMs 2978780 Specdb::MsMs 2978781 Specdb::MsMs 2978782 Specdb::MsIr 1180 Specdb::MsIr 1181 Specdb::MsIr 1182 Specdb::NmrOneD 87712 Specdb::NmrOneD 87713 Specdb::NmrOneD 87714 Specdb::NmrOneD 87715 Specdb::NmrOneD 87716 Specdb::NmrOneD 87717 Specdb::NmrOneD 87718 Specdb::NmrOneD 87719 Specdb::NmrOneD 87720 Specdb::NmrOneD 87721 Specdb::NmrOneD 87722 Specdb::NmrOneD 87723 Specdb::NmrOneD 87724 Specdb::NmrOneD 87725 Specdb::NmrOneD 87726 Specdb::NmrOneD 87727 Specdb::NmrOneD 87728 Specdb::NmrOneD 87729 Specdb::NmrOneD 87730 Specdb::NmrOneD 87731 C00612 FDB022530 482 496 17927 3323 CPD-568 Lurdes M; Almeida S; Grehn L; Ragnarsson U Facile synthesis of monoacetylated spermidines, illustrating selective deacetylation and application of a common precursor. Acta chemica Scandinavica (Copenhagen, Denmark : 1989) (1989), 43(10), 990-4. BMDBP00128 Peroxisomal N(1)-acetyl-spermine/spermidine oxidase Q865R1 PAOX Enzyme