N-methyl-2-(methylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 284893
• Molecular Formular: C7H15NS
• Molecular Mass: 145.2657
• Monoisotopic Mass: 145.09252049
• SMILES: C1(C(SC)CCC1)NC
• Canonical SMILES: CNC1CCCC1SC
• InChI: InChI=1S/C7H15NS/c1-8-6-4-3-5-7(6)9-2/h6-8H,3-5H2,1-2H3
• InChIKey: XUESANHNKGFEBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylsulfanyl)cyclopentan-1-amine
• IUPAC Traditional name: N-methyl-2-(methylsulfanyl)cyclopentan-1-amine
• Synonyms: N-methyl-2-(methylsulfanyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD20375518
• PubChem SID: 180670424
• PubChem CID: 56806458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6835885
• LogD (pH = 7.4): -1.1230581
• Log P: 1.5435667
• Molar Refractivity: 43.2739 cm^3
• Polarizability: 17.494577 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.237

Product Information

• Purity: 95%