14284 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 7 7 6 6 6 6 6 6 6 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 8 9 3 4 5 8 9 6 7 10 11 12 13 14 15 8 16 9 17 18 19 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 2.866 2.866 2.866 3.732 2 3.732 2 3.732 2 4.042 4.269 3.422 2.31 1.4631 1.69 4.269 1.4631 4.269 1.4631 1.25 -1.75 0.25 1.75 1.75 -0.25 -0.25 -1.25 -1.25 1.2131 2.06 2.2869 2.2869 2.06 1.2131 0.06 0.06 -1.56 -1.56 8 8 8 8 8 8 2 2 3 3 6 7 8 9 6 7 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 75 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C06300000000000000000000000000000000000000002C0000000000000000018000001C00000000000808C112043EC093081000A0003467440082802031022008D820386498082062C0D1D1842408608000C8C8061000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethylpyridin-4-amine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethyl-4-pyridinamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethylpyridin-4-amine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-dimethylpyridin-4-amine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 dimethyl(4-pyridyl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 VHYFNPMBLIVWCW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.084398 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H10N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.1677 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)C1=CC=NC=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)C1=CC=NC=C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 16.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 122.084398 9 0 0 0 0 0 0 0 1 1