ethyl 1-(methylamino)cyclohexane-1-carboxylate

• ChemBase ID: 239150
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(C1(NC)CCCCC1)OCC
• Canonical SMILES: CCOC(=O)C1(NC)CCCCC1
• InChI: InChI=1S/C10H19NO2/c1-3-13-9(12)10(11-2)7-5-4-6-8-10/h11H,3-8H2,1-2H3
• InChIKey: MQXJEVBIGFGQCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(methylamino)cyclohexane-1-carboxylate
• IUPAC Traditional name: ethyl 1-(methylamino)cyclohexane-1-carboxylate
• Synonyms: ethyl 1-(methylamino)cyclohexane-1-carboxylate

Database IDs

• MDL Number: MFCD12151055
• PubChem SID: 164295060
• PubChem CID: 54347986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3702415
• LogD (pH = 7.4): 1.6870295
• Log P: 1.8152245
• Molar Refractivity: 51.3497 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.053

Product Information

• Purity: 95%