4-(1H-pyrrol-1-yl)cyclohexan-1-amine

• ChemBase ID: 240297
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1(C2CCC(N)CC2)cccc1
• Canonical SMILES: NC1CCC(CC1)n1cccc1
• InChI: InChI=1S/C10H16N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-2,7-10H,3-6,11H2
• InChIKey: JYECWVNTXCHDDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-pyrrol-1-yl)cyclohexan-1-amine
• IUPAC Traditional name: 4-(pyrrol-1-yl)cyclohexan-1-amine
• Synonyms: 4-(1H-pyrrol-1-yl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD16807717
• PubChem SID: 164296207
• PubChem CID: 62587180

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.445427
• LogD (pH = 7.4): -1.1587049
• Log P: 1.5824763
• Molar Refractivity: 50.0547 cm^3
• Polarizability: 19.81891 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.258

Product Information

• Purity: 95%