1.0 2011-09-21 00:28:56 UTC 2025-11-19 02:43:53 UTC FDB023374 Anatabine Anatabine is tobacco alkaloid in urine of smokers and smokeless tobacco users (PubMed ID 8245163 ); this Nicotine-related alkaloid is an inhibitor of human cytochrome P-450 2A6 (PubMed ID 14757175 ) [HMDB] (-)-Anatabine C10H12N2 160.2157 160.100048394 (2S)-1,2,3,6-tetrahydro-2,3'-bipyridine anatabine 581-49-7 C1N[C@@H](CC=C1)C1=CN=CC=C1 InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1 SOPPBXUYQGUQHE-JTQLQIEISA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Aralkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds Azacyclic compounds Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyridines Organopnictogen compounds Aralkylamine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyridine Organoheterocyclic compound Organopnictogen compound Pyridine Secondary aliphatic amine Secondary amine Pyridine alkaloids bipyridines Solid logp 1.03 ALOGPS logs -1.18 ALOGPS solubility 1.06e+01 g/l ALOGPS logp 1.02 ChemAxon pka_strongest_basic 8.52 ChemAxon iupac (2S)-1,2,3,6-tetrahydro-2,3'-bipyridine ChemAxon average_mass 160.2157 ChemAxon mono_mass 160.100048394 ChemAxon smiles C1N[C@@H](CC=C1)C1=CN=CC=C1 ChemAxon formula C10H12N2 ChemAxon inchi InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1 ChemAxon inchikey SOPPBXUYQGUQHE-JTQLQIEISA-N ChemAxon polar_surface_area 24.92 ChemAxon refractivity 49.92 ChemAxon polarizability 17.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2226 Specdb::MsIr 2227 Specdb::MsIr 2228 Specdb::NmrTwoD 1936 Specdb::CMs 9436 Specdb::CMs 137745 Specdb::CMs 145479 Specdb::MsMs 286795 Specdb::MsMs 286796 Specdb::MsMs 286797 Specdb::MsMs 325498 Specdb::MsMs 325499 Specdb::MsMs 325500 Specdb::MsMs 2405066 Specdb::MsMs 2405067 Specdb::MsMs 2405068 Specdb::MsMs 2530419 Specdb::MsMs 2530420 Specdb::MsMs 2530421 Specdb::NmrOneD 2001 Specdb::NmrOneD 48342 Specdb::NmrOneD 48343 Specdb::NmrOneD 48344 Specdb::NmrOneD 48345 Specdb::NmrOneD 48346 Specdb::NmrOneD 48347 Specdb::NmrOneD 48348 Specdb::NmrOneD 48349 Specdb::NmrOneD 48350 Specdb::NmrOneD 48351 Specdb::NmrOneD 48352 Specdb::NmrOneD 48353 Specdb::NmrOneD 48354 Specdb::NmrOneD 48355 Specdb::NmrOneD 48356 Specdb::NmrOneD 48357 Specdb::NmrOneD 48358 Specdb::NmrOneD 48359 Specdb::NmrOneD 48360 Specdb::NmrOneD 48361 Specdb::NmrOneD 166642 Specdb::NmrOneD 166644 HMDB04476 #<Reference:0x000055ce32c33100> #<Reference:0x000055ce32c32f20> #<Reference:0x000055ce32c32c78>