8249 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 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 8 14 14 15 14 25 26 15 27 28 15 29 30 7 8 16 17 9 10 18 19 11 20 12 21 13 22 13 23 24 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 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 3.732 4.5981 5.4641 5.4641 6.3301 2.866 2.866 3.732 2 3.732 2 3.732 2.866 4.5981 5.4641 2.654 2.2554 3.9441 4.3426 1.4631 4.269 1.4631 4.269 2.866 5.4641 6.001 6.001 4.9272 6.8671 6.3301 0.595 2.095 0.595 3.595 2.095 -0.905 -1.905 -0.405 -2.405 -2.405 -3.405 -3.405 -3.905 1.095 2.595 -0.3224 -1.0127 -0.9876 -0.2973 -2.095 -2.095 -3.715 -3.715 -4.525 -0.025 0.905 3.905 3.905 2.405 1.475 8 8 8 8 8 8 7 7 9 10 11 12 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 236 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 00000371C0738000000000000000000000000000000000000000300000000000000000010000001C00100000000C00C11804310082400000A002204224000200012000000888000000880820228091118020002080000888071080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)-2-(2-phenylethyl)guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[bis(azanyl)methylidene]-2-(2-phenylethyl)guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(diaminomethylene)-2-phenethyl-guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ICFJFFQQTFMIBG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.13274550 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CCN=C(N)N=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CCN=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 2021.10.14 205.13274550 15 0 0 0 0 0 0 0 1 -1