604519 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 7 7 6 6 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 14 14 6 7 13 29 30 5 6 13 7 8 13 9 15 16 10 12 11 17 18 10 19 20 21 22 14 23 24 14 25 26 27 28 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 25 26 27 28 29 30 4.666 4.666 5.5321 3.8 6.4783 5.5321 3.8 2.9061 7.0619 6.4783 2 2.9061 4.666 2 7.0157 6.2272 3.3107 2.5124 7.5228 7.5228 6.2272 7.0157 1.7909 1.3891 2.5124 3.3107 1.3891 1.7909 5.203 4.1291 -1.6377 1.3623 -0.1377 -0.1377 0.1671 -1.1377 -1.1377 0.397 -0.6377 -1.4424 -0.1169 -1.6723 0.3623 -1.1585 0.4763 0.734 0.8668 0.876 -1.0524 -0.2229 -2.0093 -1.7516 0.4668 -0.2229 -2.1514 -2.1421 -1.0524 -1.7422 1.6723 1.6723 8 8 8 8 8 8 1 1 3 3 4 4 6 7 6 13 7 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 216 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07300000000000000000000000000000001800000003C4000000000000058B18000001C00100000000C08811E0000C092481000A00304604400828020210020009820304498082062C0D0D1842408608000C8C8071080C00E00000000000000000000000000040000000001000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1<I>H</I>-cyclopenta[b]quinolin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YLUSMKAJIQOXPV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.131348519 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H16N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2=C(C1)C(=C3CCCC3=N2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2=C(C1)C(=C3CCCC3=N2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.131348519 14 0 0 0 0 0 0 0 1 2