methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl](oxan-2-ylmethyl)amine

• ChemBase ID: 444597
• Molecular Formular: C16H32N2O2
• Molecular Mass: 284.43748
• Monoisotopic Mass: 284.24637827
• SMILES: C(CN1CCOCC1)(CN(CC1OCCCC1)C)(C)C
• Canonical SMILES: CN(CC(CN1CCOCC1)(C)C)CC1CCCCO1
• InChI: InChI=1S/C16H32N2O2/c1-16(2,14-18-7-10-19-11-8-18)13-17(3)12-15-6-4-5-9-20-15/h15H,4-14H2,1-3H3
• InChIKey: VJXOLSIKUWYICK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl](oxan-2-ylmethyl)amine
• IUPAC Traditional name: methyl[2-methyl-2-(morpholin-4-ylmethyl)propyl](oxan-2-ylmethyl)amine
• Synonyms: N,2,2-trimethyl-3-(4-morpholinyl)-N-(tetrahydro-2H-pyran-2-ylmethyl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1056836
• LogD (pH = 7.4): -0.16698816
• Log P: 1.8851061
• Molar Refractivity: 83.5621 cm^3
• Polarizability: 33.179363 Å^3
• Polar Surface Area: 24.94 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: 2.7
• LOG S: -2.57
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6