2-methyl-2-(pyridin-2-yl)propan-1-amine

• ChemBase ID: 815477
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(C(C)(c1ncccc1)C)N
• Canonical SMILES: NCC(c1ccccn1)(C)C
• InChI: InChI=1S/C9H14N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,7,10H2,1-2H3
• InChIKey: ZSYQWLPBBUBFLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 199296-39-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6740493
• LogD (pH = 7.4): -0.5910416
• Log P: 1.298827
• Molar Refractivity: 45.6272 cm^3
• Polarizability: 18.265644 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%