[2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)[(1-methylpiperidin-3-yl)methyl]amine

• ChemBase ID: 582607
• Molecular Formular: C17H35N3O
• Molecular Mass: 297.4793
• Monoisotopic Mass: 297.27801276
• SMILES: C(CN1CCOCC1)(CN(CC1CN(CCC1)C)C)(C)C
• Canonical SMILES: CN(CC(CN1CCOCC1)(C)C)CC1CCCN(C1)C
• InChI: InChI=1S/C17H35N3O/c1-17(2,15-20-8-10-21-11-9-20)14-19(4)13-16-6-5-7-18(3)12-16/h16H,5-15H2,1-4H3
• InChIKey: IRLTZKCWYYDQOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)[(1-methylpiperidin-3-yl)methyl]amine
• IUPAC Traditional name: [2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)[(1-methylpiperidin-3-yl)methyl]amine
• Synonyms: N,2,2-trimethyl-N-[(1-methyl-3-piperidinyl)methyl]-3-(4-morpholinyl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.8041983
• LogD (pH = 7.4): -2.0042005
• Log P: 1.550912
• Molar Refractivity: 90.8767 cm^3
• Polarizability: 35.871033 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.87
• LOG S: -2.81
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6