1-cyclopentyl-4,4-dimethylpentan-3-amine hydrochloride

• ChemBase ID: 284282
• Molecular Formular: C12H26ClN
• Molecular Mass: 219.79454
• Monoisotopic Mass: 219.17537752
• SMILES: C(C(CCC1CCCC1)N)(C)(C)C.Cl
• Canonical SMILES: NC(C(C)(C)C)CCC1CCCC1.Cl
• InChI: InChI=1S/C12H25N.ClH/c1-12(2,3)11(13)9-8-10-6-4-5-7-10;/h10-11H,4-9,13H2,1-3H3;1H
• InChIKey: WERCFVNFSRZXTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4,4-dimethylpentan-3-amine hydrochloride
• IUPAC Traditional name: 1-cyclopentyl-4,4-dimethylpentan-3-amine hydrochloride
• Synonyms: 1-cyclopentyl-4,4-dimethylpentan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD20502114
• PubChem SID: 180669813
• PubChem CID: 54595928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5133339
• LogD (pH = 7.4): 0.9275919
• Log P: 3.5375104
• Molar Refractivity: 58.1543 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 4.121

Product Information

• Purity: 95%