1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine hydrochloride

• ChemBase ID: 241727
• Molecular Formular: C14H24ClN3O
• Molecular Mass: 285.81286
• Monoisotopic Mass: 285.16079008
• SMILES: n1c(noc1C1CCCC1)C1(N)CCCCCC1.Cl
• Canonical SMILES: NC1(CCCCCC1)c1noc(n1)C1CCCC1.Cl
• InChI: InChI=1S/C14H23N3O.ClH/c15-14(9-5-1-2-6-10-14)13-16-12(18-17-13)11-7-3-4-8-11;/h11H,1-10,15H2;1H
• InChIKey: ZDABELVTCKQKRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine hydrochloride
• IUPAC Traditional name: 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine hydrochloride
• Synonyms: 1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22565904
• PubChem SID: 164297637
• PubChem CID: 71756849

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.811773
• LogD (pH = 7.4): 2.5406656
• Log P: 3.309722
• Molar Refractivity: 71.3551 cm^3
• Polarizability: 27.52311 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212 - 214°C
• Hydrophobicity(logP): 2.857

Product Information

• Purity: 95%