20977 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 7 7 7 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 10 12 12 13 12 27 28 13 29 30 13 31 32 7 8 14 15 9 16 17 10 18 19 11 20 21 22 23 24 25 26 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 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 4.5981 5.4641 3.732 7.1962 6.3301 2.866 2.866 3.732 2 3.732 2 4.5981 6.3301 2.654 2.2554 3.0781 3.4766 3.9441 4.3426 1.788 1.3894 3.52 3.1215 1.38 2 2.62 3.1951 3.732 7.7331 7.1962 6.8671 5.7932 1.19 2.69 2.69 2.69 1.19 -0.81 -1.81 -0.31 -2.31 0.69 -3.31 2.19 2.19 -0.2274 -0.9177 -2.3926 -1.7023 -0.8926 -0.2023 -1.7274 -2.4177 1.2726 0.5823 -3.31 -3.93 -3.31 2.38 3.31 2.38 3.31 0.88 0.88 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 181 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0738000000000000000000000000000000000000000000000000000000000000000001C00100000000800C100040300024000002000000024000000010000000000000000000000020080000000000000000000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)-2-hexyl-guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-hexylguanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-hexylguanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-hexylguanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[bis(azanyl)methylidene]-2-hexyl-guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)-2-hexyl-guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VAZJLPXFVQHDFB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.16404563 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H19N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCN=C(N)N=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCN=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 2021.10.14 185.16404563 13 0 0 0 0 0 0 0 1 -1