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

• ChemBase ID: 274866
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(C(N)C(C)C)ncccc1C
• Canonical SMILES: CC(C(c1ncccc1C)N)C
• InChI: InChI=1S/C10H16N2/c1-7(2)9(11)10-8(3)5-4-6-12-10/h4-7,9H,11H2,1-3H3
• InChIKey: UIAXRTSXHFFHTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16087837
• PubChem SID: 164330776
• PubChem CID: 54593407

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9463934
• LogD (pH = 7.4): 0.43222675
• Log P: 1.9324945
• Molar Refractivity: 50.383 cm^3
• Polarizability: 20.11068 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.283

Product Information

• Purity: 95%