96289 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 7 7 8 8 9 9 10 10 11 2 6 17 3 7 12 4 13 14 5 15 16 6 8 9 18 19 20 10 21 11 22 11 23 24 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 3 7 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 3.732 2.866 2.866 3.732 4.5981 4.5981 2 5.492 5.492 6.3981 6.3981 2.866 2.654 2.2554 4.1306 3.3335 3.732 1.69 1.4631 2.31 5.4848 5.4848 6.9338 6.9338 -0.7073 -0.2073 0.7927 1.2927 0.7927 -0.2073 -0.7073 1.3273 -0.742 0.8135 -0.2281 -0.8273 1.3753 0.685 1.7676 1.7676 -1.3273 -0.1704 -1.0173 -1.2443 1.9473 -1.362 1.1256 -0.5402 3 8 8 8 8 8 8 2 5 5 6 8 9 10 7 6 8 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C07200000000000000000000000000000000000000003C4000000000000000B10000001C00100000000C28C1180432C082C00000800224424000820000210200088880086488082022C09191842008609000C8C8071080800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1,2,3,4-tetrahydroquinoline IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1,2,3,4-tetrahydroquinoline IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1,2,3,4-tetrahydroquinoline IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1,2,3,4-tetrahydroquinoline IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-methyl-1,2,3,4-tetrahydroquinoline InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JZICUKPOZUKZLL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.104799 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H13N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.21692 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1CCC2=CC=CC=C2N1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1CCC2=CC=CC=C2N1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 12 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.104799 11 1 0 1 0 0 0 0 1 1