2-N-cyclopentylpyridine-2,5-diamine

• ChemBase ID: 268241
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1c(NC2CCCC2)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)NC1CCCC1
• InChI: InChI=1S/C10H15N3/c11-8-5-6-10(12-7-8)13-9-3-1-2-4-9/h5-7,9H,1-4,11H2,(H,12,13)
• InChIKey: JHLKMVHFZJPVIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-cyclopentylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N-cyclopentylpyridine-2,5-diamine
• Synonyms: 2-N-cyclopentylpyridine-2,5-diamine

Database IDs

• MDL Number: MFCD09049907
• PubChem SID: 164324151
• PubChem CID: 16777449

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12170098
• LogD (pH = 7.4): 1.1966802
• Log P: 1.348585
• Molar Refractivity: 55.522 cm^3
• Polarizability: 20.187172 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.261

Product Information

• Purity: 95%