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

• ChemBase ID: 25137
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N(C1CCCCC1)(CCNC)CC
• Canonical SMILES: CNCCN(C1CCCCC1)CC
• InChI: InChI=1S/C11H24N2/c1-3-13(10-9-12-2)11-7-5-4-6-8-11/h11-12H,3-10H2,1-2H3
• InChIKey: GOAQRMARLNJUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(methylamino)ethyl]cyclohexanamine
• IUPAC Traditional name: N-ethyl-N-[2-(methylamino)ethyl]cyclohexanamine
• Synonyms: N-Cyclohexyl-N-ethyl-N'-methylethane-1,2-diamine

Database IDs

• MDL Number: MFCD09971869
• PubChem SID: 160988444
• PubChem CID: 28307398

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1016488
• LogD (pH = 7.4): -0.7455909
• Log P: 1.9818445
• Molar Refractivity: 58.4753 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false