methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl][1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 685097
• Molecular Formular: C19H33N3O
• Molecular Mass: 319.48482
• Monoisotopic Mass: 319.26236269
• SMILES: C(CN(C(Cc1nccc(c1)C)C)C)(CN1CCOCC1)(C)C
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H33N3O/c1-16-6-7-20-18(12-16)13-17(2)21(5)14-19(3,4)15-22-8-10-23-11-9-22/h6-7,12,17H,8-11,13-15H2,1-5H3
• InChIKey: XWKATDCOWMGLLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl][1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl][1-(4-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: (2,2-dimethyl-3-morpholin-4-ylpropyl)methyl[1-methyl-2-(4-methylpyridin-2-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2086365
• LogD (pH = 7.4): 0.5526908
• Log P: 2.7772303
• Molar Refractivity: 96.7993 cm^3
• Polarizability: 38.091133 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.91
• LOG S: -1.71
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7