N-methyl-N-[2-(methylamino)ethyl]cyclohexanamine dihydrochloride

• ChemBase ID: 260460
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N(C1CCCCC1)(CCNC)C.Cl.Cl
• Canonical SMILES: CNCCN(C1CCCCC1)C.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-11-8-9-12(2)10-6-4-3-5-7-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: SZRVKOALKTVOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(methylamino)ethyl]cyclohexanamine dihydrochloride
• IUPAC Traditional name: N-methyl-N-[2-(methylamino)ethyl]cyclohexanamine dihydrochloride
• Synonyms: N-methyl-N-[2-(methylamino)ethyl]cyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD12197215
• PubChem SID: 164316370
• PubChem CID: 45791594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2871585
• LogD (pH = 7.4): -1.0003006
• Log P: 1.6250366
• Molar Refractivity: 53.7267 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.012

Product Information

• Purity: 95%