4091 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 7 7 7 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 6 7 8 8 9 8 16 9 17 18 9 19 20 10 11 12 13 14 15 1 1 1 1 2 2 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 6.001 4.269 5.135 2.5369 3.403 6.8671 6.001 5.135 3.403 6.5571 7.404 7.1771 6.621 6.001 5.381 5.672 2 2.5369 2.866 3.9399 0.405 0.405 -1.095 0.405 -1.095 -0.095 1.405 -0.095 -0.095 -0.6319 -0.405 0.4419 1.405 2.025 1.405 -1.405 0.095 1.025 -1.405 -1.405 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 132 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C06380000000000000000000000000000000000000000000000000000000000000000014001000000000000000040300034000002000000024000000018000000100000800008000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(diaminomethylene)-1,1-dimethyl-guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(diaminomethylene)-1,1-dimethyl-guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XZWYZXLIPXDOLR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 129.10144537 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H11N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 129.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C(=N)N=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C(=N)N=C(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 129.10144537 9 0 0 0 0 0 0 0 1 -1