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

• ChemBase ID: 255626
• Molecular Formular: C10H18ClN3O
• Molecular Mass: 231.72242
• Monoisotopic Mass: 231.11383989
• SMILES: c1(nc(on1)C)C1(N)CCCCCC1.Cl
• Canonical SMILES: Cc1onc(n1)C1(N)CCCCCC1.Cl
• InChI: InChI=1S/C10H17N3O.ClH/c1-8-12-9(13-14-8)10(11)6-4-2-3-5-7-10;/h2-7,11H2,1H3;1H
• InChIKey: LBFQVJSFDLNYRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10686679
• PubChem SID: 164311536
• PubChem CID: 42953425

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7464648
• LogD (pH = 7.4): 0.9823536
• Log P: 1.7540463
• Molar Refractivity: 54.7539 cm^3
• Polarizability: 20.894543 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.295

Product Information

• Purity: 95%