3,5-dimethylpyridin-2-amine

• ChemBase ID: 243115
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(c(cc(c1)C)C)N
• Canonical SMILES: Cc1cnc(c(c1)C)N
• InChI: InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
• InChIKey: NLDDLJBGRZJASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpyridin-2-amine
• IUPAC Traditional name: 3,5-dimethylpyridin-2-amine
• Synonyms: 3,5-dimethylpyridin-2-amine; 3,5-dimethyl-2-pyridinamine

Database IDs

• CAS Number: 41995-30-6
• MDL Number: MFCD11040341
• PubChem SID: 164299025
• PubChem CID: 3016310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1333417
• LogD (pH = 7.4): 1.1030778
• Log P: 1.5479478
• Molar Refractivity: 38.9974 cm^3
• Polarizability: 14.099642 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.266

Product Information

• Purity: 95%; 98%