(NZ)-N-[(4-methylpiperidin-1-yl)(methylsulfanyl)methylidene]cyclopropanamine hydroiodide

• ChemBase ID: 257934
• Molecular Formular: C11H21IN2S
• Molecular Mass: 340.26731
• Monoisotopic Mass: 340.04701768
• SMILES: C(=N\C1CC1)(/N1CCC(CC1)C)\SC.I
• Canonical SMILES: CS/C(=N\C1CC1)/N1CCC(CC1)C.I
• InChI: InChI=1S/C11H20N2S.HI/c1-9-5-7-13(8-6-9)11(14-2)12-10-3-4-10;/h9-10H,3-8H2,1-2H3;1H/b12-11-
• InChIKey: PIJYNXOSVVQDCY-AFEZEDKISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NZ)-N-[(4-methylpiperidin-1-yl)(methylsulfanyl)methylidene]cyclopropanamine hydroiodide
• IUPAC Traditional name: (NZ)-N-[(4-methylpiperidin-1-yl)(methylsulfanyl)methylidene]cyclopropanamine hydroiodide
• Synonyms: methyl N-cyclopropyl-4-methylpiperidine-1-carbimidothioate hydroiodide

Database IDs

• MDL Number: MFCD11505571
• PubChem SID: 164313844
• PubChem CID: 42960859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.41006956
• LogD (pH = 7.4): 1.3445675
• Log P: 2.779672
• Molar Refractivity: 63.4322 cm^3
• Polarizability: 24.48266 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.966

Product Information

• Purity: 95%