44150 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 7 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 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 6 7 13 26 27 5 6 13 7 8 13 9 14 15 10 11 12 16 17 10 18 19 20 21 12 22 23 24 25 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 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 2.737 5.3351 3.603 4.4691 3.3938 2.737 3.603 5.2061 2.4051 2 3.8122 4.801 4.4691 3.3929 4.0103 5.5715 5.7426 1.8155 2.5338 1.6346 1.4635 3.8131 3.1958 5.3906 4.6722 5.872 5.3351 0.5 -1 -1 0.5 -1.9718 -0.5 1 1.1671 -2.0749 -1.1671 1.9718 2.0749 -0.5 -2.5918 -2.0379 0.6662 1.4779 -2.2666 -2.6814 -0.6662 -1.4779 2.5918 2.0379 2.2666 2.6814 -0.69 -1.62 8 8 8 8 8 8 1 1 3 3 4 4 6 7 6 13 7 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.12.21 184 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.12.21 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.12.21 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.12.21 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.12.21 00000371C07300000000000000000000000000000001830000002C0000000000000058018000001C00100000000C08811E0000C092481000A00304604400828020210020009820304498082062C0D0D1842408608000C8C8071080C00E00000000000000000000000000000000000001000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2011.12.21 1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-amine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2011.12.21 1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-amine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2011.12.21 1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-amine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2011.12.21 1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-amine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2011.12.21 1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-ylamine InChI Standard 1 1.0.4 InChI nist.gov 2011.12.21 InChI=1S/C11H14N2/c12-11-7-3-1-5-9(7)13-10-6-2-4-8(10)11/h1-6H2,(H2,12,13) InChIKey Standard 1 1.0.4 InChI nist.gov 2011.12.21 GCDWZOSVQXZKLZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.12.21 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 174.115698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 C11H14N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 174.24226 SMILES Canonical 1 1.7.6 OEChem openeye.com 2011.12.21 C1CC2=C(C1)N=C3CCCC3=C2N SMILES Isomeric 1 1.7.6 OEChem openeye.com 2011.12.21 C1CC2=C(C1)N=C3CCCC3=C2N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.12.21 38.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 174.115698 13 0 0 0 0 0 0 0 1 2