3-cyclohexylpyrrolidine

• ChemBase ID: 307023
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N1CC(C2CCCCC2)CC1
• Canonical SMILES: C1CCC(CC1)C1CNCC1
• InChI: InChI=1S/C10H19N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-11H,1-8H2
• InChIKey: PJQCUMVGSKEOMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexylpyrrolidine
• IUPAC Traditional name: 3-cyclohexylpyrrolidine
• Synonyms: 3-cyclohexylpyrrolidine

Database IDs

• CAS Number: 78813-85-1
• MDL Number: MFCD06751872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0616459
• LogD (pH = 7.4): -0.9952309
• Log P: 2.1794596
• Molar Refractivity: 47.8564 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2