ethyl[(6-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 237157
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(CNCC)cccc1C
• Canonical SMILES: CCNCc1cccc(n1)C
• InChI: InChI=1S/C9H14N2/c1-3-10-7-9-6-4-5-8(2)11-9/h4-6,10H,3,7H2,1-2H3
• InChIKey: FCDHFFGNRGXMOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(6-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: ethyl[(6-methylpyridin-2-yl)methyl]amine
• Synonyms: ethyl[(6-methylpyridin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD09694083
• PubChem SID: 164293067
• PubChem CID: 16495148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9593903
• LogD (pH = 7.4): -0.3045282
• Log P: 0.8835722
• Molar Refractivity: 45.967 cm^3
• Polarizability: 18.264572 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%