1-(thiophen-2-yl)cyclohexan-1-amine

• ChemBase ID: 277393
• Molecular Formular: C10H15NS
• Molecular Mass: 181.2978
• Monoisotopic Mass: 181.09252049
• SMILES: c1(C2(N)CCCCC2)sccc1
• Canonical SMILES: NC1(CCCCC1)c1cccs1
• InChI: InChI=1S/C10H15NS/c11-10(6-2-1-3-7-10)9-5-4-8-12-9/h4-5,8H,1-3,6-7,11H2
• InChIKey: UJIKDMHWQDKDPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)cyclohexan-1-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)cyclohexan-1-amine
• Synonyms: 1-(thiophen-2-yl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD04037522
• PubChem SID: 164333303
• PubChem CID: 820723

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2562523
• LogD (pH = 7.4): 0.6556995
• Log P: 2.7349348
• Molar Refractivity: 52.3251 cm^3
• Polarizability: 20.82467 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.761

Product Information

• Purity: 95%