1-cycloheptylpyrrolidin-3-amine

• ChemBase ID: 267823
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CC(CC1)N)C1CCCCCC1
• Canonical SMILES: NC1CCN(C1)C1CCCCCC1
• InChI: InChI=1S/C11H22N2/c12-10-7-8-13(9-10)11-5-3-1-2-4-6-11/h10-11H,1-9,12H2
• InChIKey: ZLMUBWSHTPRUSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptylpyrrolidin-3-amine
• IUPAC Traditional name: 1-cycloheptylpyrrolidin-3-amine
• Synonyms: 1-cycloheptylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11641073
• PubChem SID: 164323733
• PubChem CID: 43315600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3931952
• LogD (pH = 7.4): -1.456463
• Log P: 1.5852268
• Molar Refractivity: 56.1197 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.064

Product Information

• Purity: 95%