1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine

• ChemBase ID: 248939
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CC(C(N)C)CCC1)C1CCC1
• Canonical SMILES: CC(C1CCCN(C1)C1CCC1)N
• InChI: InChI=1S/C11H22N2/c1-9(12)10-4-3-7-13(8-10)11-5-2-6-11/h9-11H,2-8,12H2,1H3
• InChIKey: QJHMDAYMKUALJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1-cyclobutylpiperidin-3-yl)ethanamine
• Synonyms: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19634068
• PubChem SID: 164304849
• PubChem CID: 64026417

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7300067
• LogD (pH = 7.4): -2.772193
• Log P: 1.2302129
• Molar Refractivity: 56.3201 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.975

Product Information

• Purity: 95%