ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate

C11H21NO2 — CID 20757661

IUPACethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC)CC1
InChIInChI=1S/C11H21NO2/c1-3-14-11(13)10-6-4-9(5-7-10)8-12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyOQGXXYGDFDLNDL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds4

About ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate

ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate (PubChem CID 20757661) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
PubChem CID20757661
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC)CC1
InChIInChI=1S/C11H21NO2/c1-3-14-11(13)10-6-4-9(5-7-10)8-12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyOQGXXYGDFDLNDL-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
CID 170913628
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 4-deuterio-4-(trideuteriomethyl)cyclohexane-1-carboxylate
CID 89113867
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738207

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate (CID 20757661) is ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNC)CC1.
What is the InChIKey of ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate?
The InChIKey is OQGXXYGDFDLNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-14-11(13)10-6-4-9(5-7-10)8-12-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate?
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 20757661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).