1.0 2016-09-30 22:48:17 UTC 2020-04-22 15:08:54 UTC BMDB0001861 BMDB01861 3-Methylhistamine L-Histamine deriv. 1 N(T)-Methylhistamine N(Tau)-methylhistamine N-Tau-methylhistamine Tau-methylhistamine 3-Methylhistamine dihydrochloride 3-Methylhistamine C6H11N3 125.1716 125.095297367 2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine 3-methylhistamine 644-42-8 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines 2-arylethylamines Aralkylamines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines N-substituted imidazoles Organopnictogen compounds 2-arylethylamine Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole N-substituted imidazole Organoheterocyclic compound Organopnictogen compound Primary aliphatic amine Aromatic heteromonocyclic compounds Solid logp -0.83 ALOGPS logs -1.41 ALOGPS logp -0.82 ChemAxon pka_strongest_basic 9.78 ChemAxon iupac 2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine ChemAxon average_mass 125.1716 ChemAxon mono_mass 125.095297367 ChemAxon smiles CN1C=NC=C1CCN ChemAxon formula C6H11N3 ChemAxon inchi InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 ChemAxon inchikey CPAGZVLINCPJEH-UHFFFAOYSA-N ChemAxon polar_surface_area 43.84 ChemAxon refractivity 37.13 ChemAxon polarizability 13.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16103 Specdb::CMs 137846 Specdb::CMs 145580 Specdb::NmrOneD 1763 Specdb::NmrOneD 148380 Specdb::NmrOneD 148381 Specdb::NmrOneD 148382 Specdb::NmrOneD 148383 Specdb::NmrOneD 148384 Specdb::NmrOneD 148385 Specdb::NmrOneD 148386 Specdb::NmrOneD 148387 Specdb::NmrOneD 148388 Specdb::NmrOneD 148389 Specdb::NmrOneD 148390 Specdb::NmrOneD 148391 Specdb::NmrOneD 148392 Specdb::NmrOneD 148393 Specdb::NmrOneD 148394 Specdb::NmrOneD 148395 Specdb::NmrOneD 148396 Specdb::NmrOneD 148397 Specdb::NmrOneD 148398 Specdb::NmrOneD 148399 Specdb::MsIr 1387 Specdb::MsIr 1388 Specdb::MsIr 1389 Specdb::NmrTwoD 1703 Specdb::MsMs 1738 Specdb::MsMs 1739 Specdb::MsMs 1740 Specdb::MsMs 301720 Specdb::MsMs 301721 Specdb::MsMs 301722 Specdb::MsMs 344272 Specdb::MsMs 344273 Specdb::MsMs 344274 Specdb::MsMs 451951 Specdb::MsMs 2226893 Specdb::MsMs 2227838 Specdb::MsMs 2229212 Specdb::MsMs 2230227 Specdb::MsMs 2231515 Specdb::MsMs 2232698 Specdb::MsMs 2233929 Specdb::MsMs 2234986 Specdb::MsMs 2254835 Specdb::MsMs 2372493 Specdb::MsMs 2372494 Specdb::MsMs 2372495 Specdb::MsMs 2563770 Specdb::MsMs 2563771 Specdb::MsMs 2563772 FDB022715 62725 69520 114444 Methylhistamine 6355 BMDBP00122 Histamine N-methyltransferase Q58DV7 HNMT Enzyme