4054 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 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 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 12 13 13 13 4 33 34 6 7 9 12 6 8 10 13 7 8 11 9 10 11 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 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 2 6 7 9 12 3 1 3 6 8 10 13 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 3.673 4.5092 2.8368 3.673 2.9819 3.673 4.5092 2.8368 3.8876 2 2.9819 5.2163 2.1297 2.8478 3.303 4.043 5.1198 4.7212 2.6247 2.2262 3.5782 4.4127 1.5188 1.8068 2.6383 2.3885 4.7779 5.6547 5.6547 2.5681 1.6913 1.6913 4.2099 3.1361 1.5251 -0.9232 -0.9232 0.5251 -1.3583 -1.226 0.0423 0.0423 -1.8351 -1.406 -0.313 -1.6303 -0.2161 -1.9636 -1.7235 -1.7235 -0.0653 0.6249 0.6249 -0.0653 -2.3724 -2.1647 -1.0151 -1.9951 0.203 -0.4925 -2.0687 -2.0687 -1.1919 0.2223 0.2223 -0.6545 1.8351 1.8351 3 3 2 3 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 240 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 00000371E07200000000000000000000000000000000000000003060C1800000000000000000001C00100000000F888100000200004000000000000000000000000000000000000000000000020080000000000010000000011080C00F00000000000000000000048000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,5-dimethyladamantan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,5-dimethyl-1-adamantanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,5-dimethyladamantan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,5-dimethyladamantan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,5-dimethyladamantan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3,5-dimethyl-1-adamantyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BUGYDGFZZOZRHP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.167399674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H21N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC12CC3CC(C1)(CC(C3)(C2)N)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC12CC3CC(C1)(CC(C3)(C2)N)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 2021.10.14 179.167399674 13 2 0 2 0 0 0 0 1 1