2-(2-cyclopentylethyl)pyrrolidine hydrochloride

• ChemBase ID: 240541
• Molecular Formular: C11H22ClN
• Molecular Mass: 203.75208
• Monoisotopic Mass: 203.14407739
• SMILES: N1C(CCC2CCCC2)CCC1.Cl
• Canonical SMILES: C1CCC(C1)CCC1CCCN1.Cl
• InChI: InChI=1S/C11H21N.ClH/c1-2-5-10(4-1)7-8-11-6-3-9-12-11;/h10-12H,1-9H2;1H
• InChIKey: ABQGEUOIGGYXJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclopentylethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 2-(2-cyclopentylethyl)pyrrolidine hydrochloride
• Synonyms: 2-(2-cyclopentylethyl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22392166
• PubChem SID: 164296451
• PubChem CID: 71756578

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.48772404
• LogD (pH = 7.4): -0.43514994
• Log P: 2.7535844
• Molar Refractivity: 52.3276 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 3.515

Product Information

• Purity: 95%