ethyl[(1-methylpyrrolidin-3-yl)methyl](quinolin-2-ylmethyl)amine

• ChemBase ID: 701388
• Molecular Formular: C18H25N3
• Molecular Mass: 283.4112
• Monoisotopic Mass: 283.20484782
• SMILES: n1c2c(ccc1CN(CC1CN(CC1)C)CC)cccc2
• Canonical SMILES: CCN(Cc1ccc2c(n1)cccc2)CC1CCN(C1)C
• InChI: InChI=1S/C18H25N3/c1-3-21(13-15-10-11-20(2)12-15)14-17-9-8-16-6-4-5-7-18(16)19-17/h4-9,15H,3,10-14H2,1-2H3
• InChIKey: MPTUWFIXZMCCKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3664057
• LogD (pH = 7.4): 0.2456352
• Log P: 2.5949721
• Molar Refractivity: 88.3177 cm^3
• Polarizability: 35.960262 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -2.26
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5