1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 253530
• Molecular Formular: C8H14ClN3O
• Molecular Mass: 203.66926
• Monoisotopic Mass: 203.08253976
• SMILES: c1(nc(on1)C)C1(N)CCCC1.Cl
• Canonical SMILES: Cc1onc(n1)C1(N)CCCC1.Cl
• InChI: InChI=1S/C8H13N3O.ClH/c1-6-10-7(11-12-6)8(9)4-2-3-5-8;/h2-5,9H2,1H3;1H
• InChIKey: WRXDJWCKAWQDBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
• Synonyms: 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD09054661
• PubChem SID: 164309440
• PubChem CID: 17451171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5869427
• LogD (pH = 7.4): 0.14187571
• Log P: 0.91356796
• Molar Refractivity: 45.5519 cm^3
• Polarizability: 17.225592 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.177

Product Information

• Purity: 95%
• Salt Data: HCl