ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate

C13H25NO2 — CID 65236956

IUPACethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC)CCCC(C)C1C
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)9-13(14-4)8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGDRFEDPXKSLECX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate

ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate (PubChem CID 65236956) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
PubChem CID65236956
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC)CCCC(C)C1C
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)9-13(14-4)8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGDRFEDPXKSLECX-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate 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

2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
CID 65236824
methyl 2-[1-(ethylamino)-2,3-dimethylcyclohexyl]acetate
CID 65235186
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738
ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
CID 65235828
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate (CID 65236956) is ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate is CCOC(=O)CC1(NC)CCCC(C)C1C.
What is the InChIKey of ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate?
The InChIKey is GDRFEDPXKSLECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-12(15)9-13(14-4)8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate?
ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65236956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).