38521 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 8 8 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 2 2 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 6 12 6 13 14 15 15 31 32 15 33 34 7 8 9 16 17 10 18 19 11 20 21 11 22 23 24 25 13 14 26 27 28 29 30 1 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 12 1 13 14 26 3 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 4.5878 4.5878 7.2614 8.984 7.9659 4 3.5 3.5 2.5 2.5 2 5.5388 5.5388 6.3479 8.0704 3.3923 4.0826 4.0826 3.3923 1.9174 2.6077 2.6077 1.9174 1.525 1.525 5.4418 5.6678 6.1554 6.6946 5.9019 9.4856 9.0488 8.4675 7.3995 -0.0719 -1.6899 -0.1998 -0.0188 1.3825 -0.8809 -1.7469 -0.0149 -1.7469 -0.0149 -0.8809 -0.3809 -1.3809 0.2069 0.388 -2.3575 -1.959 0.1972 0.5957 -1.959 -2.3575 0.5957 0.1972 -0.4824 -1.2794 0.2315 -1.9873 -1.3161 0.7209 0.6376 0.3456 -0.6354 1.7469 1.6346 3 12 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 245 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E0733000000000000000000000000000000120000000300000000000000000000000001E00100000000814E180060108024004002000000024000000010000000000000000001300020000002300000600000600018040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HPBNRIOWIXYZFK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.147726857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H19N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2(CC1)OCC(O2)CN=C(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC2(CC1)OCC(O2)CN=C(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.147726857 15 1 0 1 0 0 0 0 1 -1