N-(thiophen-2-ylmethyl)cyclopentanamine hydrochloride

• ChemBase ID: 121473
• Molecular Formular: C10H16ClNS
• Molecular Mass: 217.75874
• Monoisotopic Mass: 217.0691982
• SMILES: s1c(ccc1)CNC1CCCC1.Cl
• Canonical SMILES: C1CCC(C1)NCc1cccs1.Cl
• InChI: InChI=1S/C10H15NS.ClH/c1-2-5-9(4-1)11-8-10-6-3-7-12-10;/h3,6-7,9,11H,1-2,4-5,8H2;1H
• InChIKey: CQWMBBHKXJIMPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-ylmethyl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-(thiophen-2-ylmethyl)cyclopentanamine hydrochloride
• Synonyms: N-(thiophen-2-ylmethyl)cyclopentanamine hydrochloride

Database IDs

• PubChem SID: 162215826
• PubChem CID: 51051842

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

Product Information

• Salt Data: HCl