3,3-dimethylcyclopentan-1-amine hydrochloride

• ChemBase ID: 245954
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC(N)CC1)(C)C.Cl
• Canonical SMILES: NC1CCC(C1)(C)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-7(2)4-3-6(8)5-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: HUWKTDJSIIOXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylcyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 3,3-dimethylcyclopentan-1-amine hydrochloride
• Synonyms: 3,3-dimethylcyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144185
• PubChem SID: 164301864
• PubChem CID: 22992893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7114458
• LogD (pH = 7.4): -1.4188433
• Log P: 1.3163092
• Molar Refractivity: 35.3557 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%