N-(thiophen-2-ylmethyl)cyclopentanamine

• ChemBase ID: 13412
• Molecular Formular: C10H15NS
• Molecular Mass: 181.2978
• Monoisotopic Mass: 181.09252049
• SMILES: c1cc(sc1)CNC1CCCC1
• Canonical SMILES: C1CCC(C1)NCc1cccs1
• InChI: InChI=1S/C10H15NS/c1-2-5-9(4-1)11-8-10-6-3-7-12-10/h3,6-7,9,11H,1-2,4-5,8H2
• InChIKey: CRLHPNUFQXBBAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-ylmethyl)cyclopentanamine
• IUPAC Traditional name: N-(thiophen-2-ylmethyl)cyclopentanamine
• Synonyms: N-(Thiophen-2-ylmethyl)cyclopentanamine; Cyclopentyl-thiophen-2-ylmethyl-amine

Database IDs

• CAS Number: 58924-50-8
• MDL Number: MFCD03724762
• PubChem SID: 160976719
• PubChem CID: 961396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.38456902
• LogD (pH = 7.4): 0.64824253
• Log P: 2.799178
• Molar Refractivity: 52.6091 cm^3
• Polarizability: 20.824844 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%