methyl[(4-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 805372
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: N(Cc1nccc(c1)C)C
• Canonical SMILES: CNCc1nccc(c1)C
• InChI: InChI=1S/C8H12N2/c1-7-3-4-10-8(5-7)6-9-2/h3-5,9H,6H2,1-2H3
• InChIKey: MFGOBEMQKQQRKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methylpyridin-2-yl)methyl]amine
• Synonyms: N-METHYL-N-[(4-METHYLPYRIDIN-2-YL)METHYL]AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8678508
• LogD (pH = 7.4): -0.18467991
• Log P: 0.9088155
• Molar Refractivity: 41.6681 cm^3
• Polarizability: 16.416302 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%