[(5-ethylpyridin-2-yl)methyl](methyl)[(3-methylpyridin-4-yl)methyl]amine

• ChemBase ID: 682771
• Molecular Formular: C16H21N3
• Molecular Mass: 255.35804
• Monoisotopic Mass: 255.17354769
• SMILES: n1c(CN(Cc2c(cncc2)C)C)ccc(c1)CC
• Canonical SMILES: CCc1ccc(nc1)CN(Cc1ccncc1C)C
• InChI: InChI=1S/C16H21N3/c1-4-14-5-6-16(18-10-14)12-19(3)11-15-7-8-17-9-13(15)2/h5-10H,4,11-12H2,1-3H3
• InChIKey: NYCJMYBZMIUGAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethylpyridin-2-yl)methyl](methyl)[(3-methylpyridin-4-yl)methyl]amine
• IUPAC Traditional name: [(5-ethylpyridin-2-yl)methyl](methyl)[(3-methylpyridin-4-yl)methyl]amine
• Synonyms: 1-(5-ethylpyridin-2-yl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2620052
• LogD (pH = 7.4): 2.615825
• Log P: 2.7566543
• Molar Refractivity: 79.0607 cm^3
• Polarizability: 30.574205 Å^3
• Polar Surface Area: 29.02 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: 2.31
• LOG S: -0.73
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5