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

• ChemBase ID: 242638
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(C(C)C)cccn1)N
• Canonical SMILES: CC(c1cccnc1N)C
• InChI: InChI=1S/C8H12N2/c1-6(2)7-4-3-5-10-8(7)9/h3-6H,1-2H3,(H2,9,10)
• InChIKey: GHZOLPYPAQAMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 3-isopropylpyridin-2-amine
• Synonyms: 3-(propan-2-yl)pyridin-2-amine

Database IDs

• MDL Number: MFCD19648929
• PubChem SID: 164298548
• PubChem CID: 17962422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47199535
• LogD (pH = 7.4): 1.5584828
• Log P: 1.7661141
• Molar Refractivity: 43.1058 cm^3
• Polarizability: 16.022106 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.445

Product Information

• Purity: 95%