5-(propan-2-yl)pyridin-2-amine

• ChemBase ID: 294329
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CC(c1cnc(N)cc1)C
• Canonical SMILES: Nc1ccc(cn1)C(C)C
• InChI: InChI=1S/C8H12N2/c1-6(2)7-3-4-8(9)10-5-7/h3-6H,1-2H3,(H2,9,10)
• InChIKey: GXSWKKZGLOYAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-isopropylpyridin-2-amine
• Synonyms: 5-Isopropylpyridin-2-amine

Database IDs

• CAS Number: 603310-75-4
• PubChem SID: 180679860
• PubChem CID: 17985805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5109442
• LogD (pH = 7.4): 1.5938257
• Log P: 1.7661141
• Molar Refractivity: 43.1058 cm^3
• Polarizability: 16.021233 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%