2-(2-cyclohexylethyl)pyrrolidine

• ChemBase ID: 240488
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: N1C(CCC2CCCCC2)CCC1
• Canonical SMILES: C1CCC(CC1)CCC1CCCN1
• InChI: InChI=1S/C12H23N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h11-13H,1-10H2
• InChIKey: OAVYCDIPKWSKAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclohexylethyl)pyrrolidine
• IUPAC Traditional name: 2-(2-cyclohexylethyl)pyrrolidine
• Synonyms: 2-(2-cyclohexylethyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663518
• PubChem SID: 164296398
• PubChem CID: 3613848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.04315537
• LogD (pH = 7.4): 0.009418728
• Log P: 3.198153
• Molar Refractivity: 56.9286 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.074

Product Information

• Purity: 95%