methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 307477
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CC(NC)C)cc(cc1)C
• Canonical SMILES: CNC(Cc1nccc(c1)C)C
• InChI: InChI=1S/C10H16N2/c1-8-4-5-12-10(6-8)7-9(2)11-3/h4-6,9,11H,7H2,1-3H3
• InChIKey: AKUIALIJZRZKJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: N-methyl-1-(4-methylpyridin-2-yl)propan-2-amine

Database IDs

• CAS Number: 91010-36-5
• MDL Number: MFCD08060022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7015592
• LogD (pH = 7.4): -0.84074754
• Log P: 1.5624032
• Molar Refractivity: 50.7863 cm^3
• Polarizability: 20.031883 Å^3
• Polar Surface Area: 24.92 Å^2