methyl[1-(3-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 57220
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1cnc(c(c1)C)CC(C)NC
• Canonical SMILES: CNC(Cc1ncccc1C)C
• InChI: InChI=1S/C10H16N2/c1-8-5-4-6-12-10(8)7-9(2)11-3/h4-6,9,11H,7H2,1-3H3
• InChIKey: MCBVILIYABTIRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 937638-36-3
• MDL Number: MFCD08572168
• PubChem SID: 162061983
• PubChem CID: 16640568

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6766716
• LogD (pH = 7.4): -0.8396443
• Log P: 1.5624032
• Molar Refractivity: 50.7863 cm^3
• Polarizability: 20.033428 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