3518 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 7 7 7 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 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 5 6 12 13 14 14 33 34 14 35 36 7 15 16 8 17 18 10 19 20 9 21 22 11 23 24 11 25 26 27 28 13 29 30 31 32 1 1 1 1 2 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 36 3.821 3.9776 3.7516 2.3774 2.821 4.5281 2.1139 4.5281 3.821 2.1139 2.821 4.2037 3.595 3.3689 2.2841 2.9815 4.8381 5.127 1.515 1.8039 5.127 4.8381 4.358 3.6606 1.8039 1.515 2.9815 2.2841 4.6226 4.7266 3.1761 3.072 3.3741 4.3663 2 2.1402 1.218 -1.4231 -3.1403 -2.0859 1.218 1.9251 1.9251 2.9251 3.6322 2.9251 3.6322 0.2941 -0.4992 -2.2165 0.908 0.6191 1.3882 2.0856 2.0856 1.3882 2.7646 3.462 3.9422 4.2311 3.462 2.7646 4.2311 3.9422 -0.163 0.6273 -0.0421 -0.8324 -3.6322 -3.2213 -2.5778 -1.5131 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 167 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0738000000000000000000000000000000000000000000000000000160000000000001C00100000000800C100040100034000002000000024000000010000000000000800000040020080001400000000008000011080000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(azocan-1-yl)ethyl]guanidine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(1-azocanyl)ethyl]guanidine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(azocan-1-yl)ethyl]guanidine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(azocan-1-yl)ethyl]guanidine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[2-(azocan-1-yl)ethyl]guanidine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ACGDKVXYNVEAGU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.184447 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H22N4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.30848 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCCN(CCC1)CCN=C(N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCCN(CCC1)CCN=C(N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 67.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.184447 14 0 0 0 0 0 0 0 1 2