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

• ChemBase ID: 276736
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(c1ncccc1)(N)C(C)C
• Canonical SMILES: CC(C(c1ccccn1)N)C
• InChI: InChI=1S/C9H14N2/c1-7(2)9(10)8-5-3-4-6-11-8/h3-7,9H,10H2,1-2H3
• InChIKey: DQKQDUXKROXADZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58088-72-5
• MDL Number: MFCD09802325
• PubChem SID: 164332646
• PubChem CID: 22414199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4558808
• LogD (pH = 7.4): -0.07131962
• Log P: 1.4190732
• Molar Refractivity: 45.3418 cm^3
• Polarizability: 18.343714 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.834

Product Information

• Purity: 95%