N-methyl-3-(methylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 283357
• Molecular Formular: C7H15NS
• Molecular Mass: 145.2657
• Monoisotopic Mass: 145.09252049
• SMILES: C1C(NC)CCC1SC
• Canonical SMILES: CNC1CCC(C1)SC
• InChI: InChI=1S/C7H15NS/c1-8-6-3-4-7(5-6)9-2/h6-8H,3-5H2,1-2H3
• InChIKey: PCQIKLYNSUNDGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(methylsulfanyl)cyclopentan-1-amine
• IUPAC Traditional name: N-methyl-3-(methylsulfanyl)cyclopentan-1-amine
• Synonyms: N-methyl-3-(methylsulfanyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD20403218
• PubChem SID: 180668888
• PubChem CID: 54595737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9950399
• LogD (pH = 7.4): -1.5485343
• Log P: 1.2369115
• Molar Refractivity: 43.4613 cm^3
• Polarizability: 17.494068 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.061

Product Information

• Purity: 95%