15433 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 35 36 37 38 39 40 41 42 43 44 45 46 47 8 7 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 -1 2 1 1 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 2 8 13 14 4 5 17 18 6 19 20 7 21 22 8 23 24 9 25 26 27 28 10 29 30 11 31 32 12 33 34 15 35 36 37 38 39 40 41 42 16 43 44 45 46 47 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 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 2 2.866 6.3301 5.4641 7.1962 4.5981 8.0622 3.732 8.9282 9.7942 10.6603 11.5263 2.366 3.366 12.3923 13.2583 5.9316 6.7287 5.8626 5.0656 7.5947 6.7976 4.1996 4.9966 7.6636 8.4607 4.1306 3.3335 9.3267 8.5297 9.3957 10.1928 11.0588 10.2617 11.1278 11.9248 2.903 2.056 1.8291 2.8291 3.676 3.903 12.7908 11.9938 12.9483 13.7953 13.5683 -0.5 0 -0 0.5 0.5 0 -0 0.5 0.5 -0 0.5 -0 0.866 -0.866 0.5 -0 -0.4749 -0.4749 0.9749 0.9749 0.9749 0.9749 -0.4749 -0.4749 -0.4749 -0.4749 0.9749 0.9749 0.9749 0.9749 -0.4749 -0.4749 0.9749 0.9749 -0.4749 -0.4749 1.176 1.403 0.556 -1.176 -1.403 -0.556 0.9749 0.9749 -0.5369 -0.31 0.5369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 146 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 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0722000000000000000000000000000000000000000000000000000000000000000001C00040000000800C100040200031000000000000000000000000000002000000800000000020080000400000000000000011080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyldodecan-1-amine oxide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-1-dodecanamine oxide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dimethyldodecan-1-amine oxide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyldodecan-1-amine oxide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyldodecan-1-amine oxide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyldodecan-1-amine oxide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SYELZBGXAIXKHU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 229.240564612 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H31NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 229.40 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCC[N+](C)(C)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCC[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 2021.10.14 229.240564612 16 0 0 0 0 0 0 0 1 -1