cyclopentyl(thiophen-2-yl)methanamine

• ChemBase ID: 257733
• Molecular Formular: C10H15NS
• Molecular Mass: 181.2978
• Monoisotopic Mass: 181.09252049
• SMILES: c1(sccc1)C(C1CCCC1)N
• Canonical SMILES: NC(c1cccs1)C1CCCC1
• InChI: InChI=1S/C10H15NS/c11-10(8-4-1-2-5-8)9-6-3-7-12-9/h3,6-8,10H,1-2,4-5,11H2
• InChIKey: GPWCODZLSPGVCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(thiophen-2-yl)methanamine
• IUPAC Traditional name: cyclopentyl(thiophen-2-yl)methanamine
• Synonyms: 1-cyclopentyl-1-thien-2-ylmethanamine

Database IDs

• MDL Number: MFCD11131268
• PubChem SID: 164313643
• PubChem CID: 22299780

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22241145
• LogD (pH = 7.4): 0.871942
• Log P: 2.7413774
• Molar Refractivity: 52.2355 cm^3
• Polarizability: 20.824753 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.611

Product Information

• Purity: 95%