ethyl[(3-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 50377
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(c(C)ccc1)CNCC
• Canonical SMILES: CCNCc1ncccc1C
• InChI: InChI=1S/C9H14N2/c1-3-10-7-9-8(2)5-4-6-11-9/h4-6,10H,3,7H2,1-2H3
• InChIKey: PTEUJVOAIMEICE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(3-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: ethyl[(3-methylpyridin-2-yl)methyl]amine
• Synonyms: N-[(3-Methyl-2-pyridinyl)methyl]-1-ethanamine

Database IDs

• MDL Number: MFCD13562964
• PubChem SID: 162055140
• PubChem CID: 53410775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5917298
• LogD (pH = 7.4): 0.053483758
• Log P: 1.2656235
• Molar Refractivity: 46.4167 cm^3
• Polarizability: 18.264538 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false