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

• ChemBase ID: 264346
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: N(c1cnccc1)C(C)C
• Canonical SMILES: CC(Nc1cccnc1)C
• InChI: InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
• InChIKey: KJSHRGNATIWUSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01646222
• PubChem SID: 164320256
• PubChem CID: 817747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.71201247
• LogD (pH = 7.4): 0.99595827
• Log P: 1.0017345
• Molar Refractivity: 43.2623 cm^3
• Polarizability: 16.101692 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 42°C
• Hydrophobicity(logP): 1.954

Product Information

• Purity: 95%