6433106 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 7 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 1 1 1 2 2 2 2 3 3 3 3 4 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 4 34 35 5 6 8 9 5 7 10 11 6 7 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 1 1 1 1 1 1 1 1 1 1 1 1 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 31 32 33 34 35 4.366 3 4.732 3.866 3.866 3 4.732 2.5 2 5.232 5.732 3.366 3.4675 4.2646 2.788 2.3894 5.3426 4.9441 1.9631 2.19 3.0369 2 1.38 2 4.6951 5.542 5.769 5.732 6.352 5.732 3.903 3.056 2.8291 4.986 4.056 1.3476 -1.0185 -1.0185 0.4815 -1.5185 -0.0185 -0.0185 -1.8845 -1.0185 -1.8845 -1.0185 1.3476 -1.9934 -1.9934 0.5641 -0.1261 -0.1261 0.5641 -1.5745 -2.4214 -2.1945 -0.3985 -1.0185 -1.6385 -2.1945 -2.4214 -1.5745 -1.6385 -1.0185 -0.3985 1.6576 1.8845 1.0376 1.3476 1.8845 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 163 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E0720000000000000000000000000000000000000000300000000000000000000000001C00100000000E888100000200004000000000000000000000000000000000000000000000020080000000000010000000011080400F00000000000000000000048000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3,5,5-pentamethylcyclohexanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3,5,5-pentamethyl-1-cyclohexanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3,5,5-pentamethylcyclohexan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3,5,5-pentamethylcyclohexan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3,5,5-pentamethylcyclohexan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1,3,3,5,5-pentamethylcyclohexyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OGZQTTHDGQBLBT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.183049738 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H23N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CC(CC(C1)(C)N)(C)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CC(CC(C1)(C)N)(C)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.183049738 12 0 0 0 0 0 0 0 1 -1