160410 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 31 32 33 34 35 36 37 38 39 40 7 7 6 6 6 6 6 6 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 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 14 15 16 16 17 17 18 18 18 19 19 20 4 6 9 3 18 31 5 7 21 7 8 6 22 23 24 25 13 10 14 12 16 11 26 27 12 28 29 17 15 30 15 32 33 19 34 20 35 36 37 38 20 39 40 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 3 2 5 7 21 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 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 3.6428 3.8601 3.7815 4.5438 2.843 2.7732 4.6376 5.4447 3.4203 5.6673 5.0438 4.0438 5.495 6.313 6.3383 2.388 3.6782 3.036 2 2.6494 4.3417 2.2265 2.6736 2.5255 2.1708 6.2259 6.0538 5.6024 4.9058 5.5037 4.4197 6.8406 6.8819 2.0071 4.0704 2.6848 2.5251 3.3873 1.3866 2.4252 0.3664 -2.6952 -1.6983 -0.0675 -1.2463 -0.2071 -1.1049 0.3664 1.3413 1.3413 2.1231 2.1231 -1.5882 -0.097 -1.0809 1.4806 3.0985 -3.2617 2.4473 3.2617 -1.9641 -1.1814 -1.8427 0.3613 -0.3539 1.0723 1.826 2.3921 2.7276 -2.2082 -2.962 0.2287 -1.3791 0.9915 3.5788 -2.7508 -3.6129 -3.7726 2.5374 3.8397 3 8 8 8 8 8 8 8 8 8 8 8 8 3 4 4 7 8 9 9 12 13 14 16 17 19 2 7 8 13 14 12 16 17 15 15 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 342 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B00000000000000000000000000000000000000003C6080000580000000B14000001C00100000000C28C1180432C083C00000800224424000820000210200088880086488082062C0D191842008609000C8C8071080C00E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-methyl-1-azatetracyclo[8.7.1.0<SUP>2,7</SUP>.0<SUP>14,18</SUP>]octadeca-2,4,6,10(18),11,13-hexaen-15-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-yl(methyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AEOOLRRTECSMIN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.162648646 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H20N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC1CCN2C3=CC=CC=C3CCC4=C2C1=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC1CCN2C3=CC=CC=C3CCC4=C2C1=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 15.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.162648646 20 1 0 1 0 0 0 0 1 -1