12679 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 15 8 7 7 7 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 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 2 3 4 5 8 11 9 10 6 7 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 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 3.732 4.232 4.5981 2.866 3.232 3.732 2.232 5.4641 2 2.866 4.5981 4.269 4.042 3.1951 2.232 1.612 2.232 5.1541 6.001 5.7741 2.31 1.4631 1.69 2.246 2.866 3.486 5.2181 4.5981 3.9781 -0.116 -0.9821 0.384 -0.616 0.75 1.616 0.75 -0.116 -0.116 -1.616 1.384 1.306 2.153 1.926 1.37 0.75 0.13 -0.653 -0.426 0.4209 0.4209 0.194 -0.653 -1.616 -2.236 -1.616 1.384 2.004 1.384 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E06320020000000000000000000000000000000000000000000000000000000000000014000080200000000000040200020000000040000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 N-[bis(dimethylamino)phosphoryl]-N-methyl-methanamine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 N-[bis(dimethylamino)phosphoryl]-N-methyl-methanamine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 bis(dimethylamino)phosphoryl-dimethyl-amine InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 GNOIPBMMFNIUFM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 179.118749 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H18N3OP Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 179.200382 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CN(C)P(=O)(N(C)C)N(C)C SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CN(C)P(=O)(N(C)C)N(C)C Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 26.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 179.118749 11 0 0 0 0 0 0 0 1 1