2,5-dimethylcyclopentan-1-amine hydrochloride

• ChemBase ID: 285860
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(C(CCC1C)C)N.Cl
• Canonical SMILES: NC1C(C)CCC1C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-5-3-4-6(2)7(5)8;/h5-7H,3-4,8H2,1-2H3;1H
• InChIKey: SIQAWYPZIFGYGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylcyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2,5-dimethylcyclopentan-1-amine hydrochloride
• Synonyms: 2,5-dimethylcyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD21602652
• PubChem SID: 180671391
• PubChem CID: 72135073

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5698367
• LogD (pH = 7.4): -1.3305405
• Log P: 1.4591887
• Molar Refractivity: 35.2752 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

• Melting Point: 248 - 250°C
• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%