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

• ChemBase ID: 814726
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: C(C(C)(c1cc(ncc1)C)C)N
• Canonical SMILES: NCC(c1ccnc(c1)C)(C)C
• InChI: InChI=1S/C10H16N2/c1-8-6-9(4-5-12-8)10(2,3)7-11/h4-6H,7,11H2,1-3H3
• InChIKey: XYOQJUIYDGDRHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060806-42-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5532637
• LogD (pH = 7.4): -0.9891722
• Log P: 1.0443469
• Molar Refractivity: 50.5907 cm^3
• Polarizability: 20.030407 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%