2468 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 7 7 7 7 7 6 6 6 6 6 6 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 6 7 7 7 8 8 9 9 9 8 10 10 11 10 21 22 11 23 24 11 25 26 7 8 12 13 9 14 15 16 17 18 19 20 1 2 1 2 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 3.732 4.5981 2.866 6.3301 5.4641 2.866 2 2.866 2 3.732 5.4641 3.0781 3.4766 1.788 1.3894 2.654 2.2554 1.38 2 2.62 2.3291 2.866 6.8671 6.3301 6.001 4.9272 0.44 1.94 1.94 1.94 0.44 -1.06 -1.56 -0.06 -2.56 1.44 1.44 -1.6426 -0.9523 -0.9774 -1.6677 0.5226 -0.1677 -2.56 -3.18 -2.56 1.63 2.56 1.63 2.56 0.13 0.13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 156 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0638000000000000000000000000000000000000000000000000000000000000000001C00100000000800C100040300024000002000000024000000010000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-butyl-1-(diaminomethylene)guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-butyl-1-(diaminomethylidene)guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-butyl-1-(diaminomethylidene)guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-butyl-1-(diaminomethylidene)guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[bis(azanyl)methylidene]-2-butyl-guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-butyl-1-(diaminomethylene)guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XSEUMFJMFFMCIU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 157.13274550 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H15N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 157.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN=C(N)N=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCN=C(N)N=C(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 103 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 157.13274550 11 0 0 0 0 0 0 0 1 -1