N-cyclopentyl(dodecylsulfanyl)methanimidamide hydrobromide

• ChemBase ID: 259364
• Molecular Formular: C18H37BrN2S
• Molecular Mass: 393.46878
• Monoisotopic Mass: 392.18608219
• SMILES: C(=N)(NC1CCCC1)SCCCCCCCCCCCC.Br
• Canonical SMILES: CCCCCCCCCCCCSC(=N)NC1CCCC1.Br
• InChI: InChI=1S/C18H36N2S.BrH/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(19)20-17-14-11-12-15-17;/h17H,2-16H2,1H3,(H2,19,20);1H
• InChIKey: PJEIDKSQDXDWGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl(dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: N-cyclopentyldodecylsulfanylmethanimidamide hydrobromide
• Synonyms: N-cyclopentyl(dodecylsulfanyl)methanimidamide hydrobromide

Database IDs

• MDL Number: MFCD12197009
• PubChem SID: 164315274
• PubChem CID: 45791418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.4095397
• LogD (pH = 7.4): 4.573736
• Log P: 6.822442
• Molar Refractivity: 106.8979 cm^3
• Polarizability: 38.131935 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 7.523

Product Information

• Purity: 95%