2-cyclopentylpropan-2-amine hydrochloride

• ChemBase ID: 244906
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C(C1CCCC1)(N)(C)C.Cl
• Canonical SMILES: CC(C1CCCC1)(N)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-8(2,9)7-5-3-4-6-7;/h7H,3-6,9H2,1-2H3;1H
• InChIKey: QQZGZVXBUYPEAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylpropan-2-amine hydrochloride
• IUPAC Traditional name: 2-cyclopentylpropan-2-amine hydrochloride
• Synonyms: 2-cyclopentylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22741272
• PubChem SID: 164300816
• PubChem CID: 71757613

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2887404
• LogD (pH = 7.4): -1.1028699
• Log P: 1.7414074
• Molar Refractivity: 40.1198 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.135

Product Information

• Purity: 95%