2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine

• ChemBase ID: 814724
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: C(C(C)(c1nc(ccc1)C)C)N
• Canonical SMILES: NCC(c1cccc(n1)C)(C)C
• InChI: InChI=1S/C10H16N2/c1-8-5-4-6-9(12-8)10(2,3)7-11/h4-6H,7,11H2,1-3H3
• InChIKey: DVTRAVZQRNPLLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine
• Synonyms: 2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine

Database IDs

• CAS Number: 929021-99-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.569105
• LogD (pH = 7.4): -0.46711236
• Log P: 1.4301972
• Molar Refractivity: 50.2187 cm^3
• Polarizability: 20.032583 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%