ethyl[(1-ethylpyrrolidin-3-yl)methyl](furan-2-ylmethyl)amine

• ChemBase ID: 793558
• Molecular Formular: C14H24N2O
• Molecular Mass: 236.35316
• Monoisotopic Mass: 236.1888634
• SMILES: N1(CC(CN(Cc2occc2)CC)CC1)CC
• Canonical SMILES: CCN(Cc1ccco1)CC1CCN(C1)CC
• InChI: InChI=1S/C14H24N2O/c1-3-15-8-7-13(10-15)11-16(4-2)12-14-6-5-9-17-14/h5-6,9,13H,3-4,7-8,10-12H2,1-2H3
• InChIKey: ZEPWZPCPYVRKBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(1-ethylpyrrolidin-3-yl)methyl](furan-2-ylmethyl)amine
• IUPAC Traditional name: ethyl[(1-ethylpyrrolidin-3-yl)methyl](furan-2-ylmethyl)amine
• Synonyms: N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(2-furylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.6052334
• LogD (pH = 7.4): -0.9873197
• Log P: 1.7729001
• Molar Refractivity: 72.0581 cm^3
• Polarizability: 27.937666 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -2.44
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6