3-(ethylsulfanyl)-N-methylcyclopentan-1-amine

• ChemBase ID: 284694
• Molecular Formular: C8H17NS
• Molecular Mass: 159.29228
• Monoisotopic Mass: 159.10817055
• SMILES: C1C(NC)CCC1SCC
• Canonical SMILES: CCSC1CCC(C1)NC
• InChI: InChI=1S/C8H17NS/c1-3-10-8-5-4-7(6-8)9-2/h7-9H,3-6H2,1-2H3
• InChIKey: HQSWZOMBJNDIFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethylsulfanyl)-N-methylcyclopentan-1-amine
• IUPAC Traditional name: 3-(ethylsulfanyl)-N-methylcyclopentan-1-amine
• Synonyms: 3-(ethylsulfanyl)-N-methylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD20403060
• PubChem SID: 180670225
• PubChem CID: 56806534

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7419529
• LogD (pH = 7.4): -1.2938915
• Log P: 1.4899415
• Molar Refractivity: 48.2591 cm^3
• Polarizability: 19.340933 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.59

Product Information

• Purity: 95%