2130 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 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 1 1 1 1 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 2 27 28 6 7 8 6 9 11 14 8 9 10 13 7 10 11 12 15 16 17 18 19 20 21 22 23 24 25 26 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 3.673 3.673 4.5092 2.8368 2.9819 4.5092 2.9819 2.8368 3.673 2 3.8876 2.8478 2.8912 5.1016 5.1198 4.7212 2.6383 2.3885 2.6247 2.2262 3.303 4.043 1.5188 1.8068 3.5782 4.4127 4.2099 3.1361 1.5251 0.5251 -0.9232 -0.9232 -1.3583 0.0423 -0.313 0.0423 -1.226 -1.406 -1.8351 -1.9636 -1.5408 -1.1059 -0.0653 0.6249 0.203 -0.4925 0.6249 -0.0653 -1.7235 -1.7235 -1.0151 -1.9951 -2.3724 -2.1647 1.8351 1.8351 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 144 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 00000371E07200000000000000000000000000000000000000003060C1800000000000000000001C00100000000D888100000000004000000000000000000000000000000000000000000000020080000000000010000000011080C00E00000000000000000000048000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 adamantan-1-amine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-adamantanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 adamantan-1-amine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 adamantan-1-amine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-adamantylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DKNWSYNQZKUICI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.1361 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H17N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.24868 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C2CC3CC1CC(C2)(C3)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1C2CC3CC1CC(C2)(C3)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.1361 11 0 0 0 0 0 0 0 1 1