2-cyclohexylpyrrolidine

• ChemBase ID: 76074
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N1C(C2CCCCC2)CCC1
• Canonical SMILES: C1CCC(CC1)C1CCCN1
• InChI: InChI=1S/C10H19N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h9-11H,1-8H2
• InChIKey: KRDXTHSSNCTAGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylpyrrolidine
• IUPAC Traditional name: 2-cyclohexylpyrrolidine
• Synonyms: 2-Cyclohexylpyrrolidine

Database IDs

• CAS Number: 367281-02-5
• MDL Number: MFCD01631841
• PubChem SID: 162040992
• PubChem CID: 4637746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8545263
• LogD (pH = 7.4): -0.815149
• Log P: 2.3869693
• Molar Refractivity: 47.6496 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.926

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%