[1-(thiophen-2-yl)cyclopentyl]methanamine

• ChemBase ID: 118426
• Molecular Formular: C10H15NS
• Molecular Mass: 181.2978
• Monoisotopic Mass: 181.09252049
• SMILES: c1(C2(CN)CCCC2)sccc1
• Canonical SMILES: NCC1(CCCC1)c1cccs1
• InChI: InChI=1S/C10H15NS/c11-8-10(5-1-2-6-10)9-4-3-7-12-9/h3-4,7H,1-2,5-6,8,11H2
• InChIKey: MDNIELHLGOAGCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(thiophen-2-yl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(thiophen-2-yl)cyclopentyl]methanamine
• Synonyms: {[1-(2-thienyl)cyclopentyl]methyl}amine; [1-(thiophen-2-yl)cyclopentyl]methanamine

Database IDs

• CAS Number: 75180-54-0
• MDL Number: MFCD09694079
• PubChem SID: 162102956
• PubChem CID: 16495144

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49513602
• LogD (pH = 7.4): 0.59770036
• Log P: 2.468942
• Molar Refractivity: 52.4458 cm^3
• Polarizability: 20.743965 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.546
• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%; 95+%