1-cyclohexylpyrrolidine

• ChemBase ID: 58268
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C1CCCN1C1CCCCC1
• Canonical SMILES: C1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C10H19N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10H,1-9H2
• InChIKey: ULBBXWVIXXPSOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpyrrolidine
• IUPAC Traditional name: 1-cyclohexylpyrrolidine
• Synonyms: 1-Cyclohexylpyrrolidine

Database IDs

• MDL Number: MFCD09032128
• PubChem SID: 162063031
• PubChem CID: 139064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1008453
• LogD (pH = 7.4): -0.81015563
• Log P: 2.3952374
• Molar Refractivity: 48.5433 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false