[2,2-dimethyl-3-(morpholin-4-yl)propyl][(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](2-methoxyethyl)amine

• ChemBase ID: 466489
• Molecular Formular: C20H38N4O2
• Molecular Mass: 366.54132
• Monoisotopic Mass: 366.29947648
• SMILES: c1(c(n(nc1C)CC)C)CN(CC(CN1CCOCC1)(C)C)CCOC
• Canonical SMILES: COCCN(CC(CN1CCOCC1)(C)C)Cc1c(C)nn(c1C)CC
• InChI: InChI=1S/C20H38N4O2/c1-7-24-18(3)19(17(2)21-24)14-23(8-11-25-6)16-20(4,5)15-22-9-12-26-13-10-22/h7-16H2,1-6H3
• InChIKey: PJVOKYIYZRGTOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(morpholin-4-yl)propyl][(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [2,2-dimethyl-3-(morpholin-4-yl)propyl][(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl](2-methoxyethyl)amine
• Synonyms: (2,2-dimethyl-3-morpholin-4-ylpropyl)[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](2-methoxyethyl)amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.59
• LOG S: -3.08
• Polar Surface Area: 42.76 Å^2
• Rotatable Bonds: 10
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 119.7557 cm^3
• Polarizability: 41.90763 Å^3
• Polar Surface Area: 42.76 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.7459217
• LogD (pH = 7.4): 0.47607493
• Log P: 1.8150455