N-propylpyridin-3-amine

• ChemBase ID: 235247
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1cc(NCCC)ccc1
• Canonical SMILES: CCCNc1cccnc1
• InChI: InChI=1S/C8H12N2/c1-2-5-10-8-4-3-6-9-7-8/h3-4,6-7,10H,2,5H2,1H3
• InChIKey: KUVIIDSVSSBWCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylpyridin-3-amine
• IUPAC Traditional name: N-propylpyridin-3-amine
• Synonyms: N-propylpyridin-3-amine

Database IDs

• MDL Number: MFCD11140214
• PubChem SID: 164291157
• PubChem CID: 22398676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.794569
• LogD (pH = 7.4): 1.1011648
• Log P: 1.1076819
• Molar Refractivity: 43.3675 cm^3
• Polarizability: 16.101814 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.174

Product Information

• Purity: 95%