2-N-cyclopentylpyridine-2,3-diamine

• ChemBase ID: 49561
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(NC2CCCC2)ncccc1N
• Canonical SMILES: Nc1cccnc1NC1CCCC1
• InChI: InChI=1S/C10H15N3/c11-9-6-3-7-12-10(9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5,11H2,(H,12,13)
• InChIKey: SANXETCZVGXRBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-cyclopentylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N-cyclopentylpyridine-2,3-diamine
• Synonyms: N2-Cyclopentyl-2,3-pyridinediamine

Database IDs

• MDL Number: MFCD08692158
• PubChem SID: 162054324
• PubChem CID: 20956134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.06939887
• LogD (pH = 7.4): 1.1556879
• Log P: 1.348585
• Molar Refractivity: 55.522 cm^3
• Polarizability: 20.188528 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false