[(5-ethylpyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 307123
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(ccc(c1)CC)CNC
• Canonical SMILES: CNCc1ccc(cn1)CC
• InChI: InChI=1S/C9H14N2/c1-3-8-4-5-9(7-10-2)11-6-8/h4-6,10H,3,7H2,1-2H3
• InChIKey: QJGRCDJXXYZILE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethylpyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-ethylpyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(5-ethylpyridin-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 114366-10-8
• MDL Number: MFCD09055293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4423064
• LogD (pH = 7.4): 0.23402074
• Log P: 1.3533841
• Molar Refractivity: 46.2691 cm^3
• Polarizability: 18.26348 Å^3
• Polar Surface Area: 24.92 Å^2