1145 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 6 6 6 1 1 1 1 1 1 1 1 1 1 -1 2 1 1 2 2 2 3 3 3 4 4 4 5 5 5 2 3 4 5 6 7 8 9 10 11 12 13 14 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 3.732 2.866 2 2.366 3.366 1.69 1.4631 2.31 2.903 2.056 1.8291 2.8291 3.676 3.903 0.5 0 -0.5 0.866 -0.866 0.0369 -0.81 -1.0369 1.176 1.403 0.556 -1.176 -1.403 -0.556 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 28.4 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C04220000000000000000000000000000000000000000000000000000000000000000014000400000000000000040200031000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylmethanamine oxide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylmethanamine oxide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dimethylmethanamine oxide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylmethanamine oxide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylmethanamine oxide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylmethanamine oxide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UYPYRKYUKCHHIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.068413911 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H9NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+](C)(C)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.068413911 5 0 0 0 0 0 0 0 1 -1