ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate

C13H25NO2 — CID 55025429

IUPACethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
SMILESCCOC(=O)CNCC1CCC(CC)CC1
InChIInChI=1S/C13H25NO2/c1-3-11-5-7-12(8-6-11)9-14-10-13(15)16-4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyZNLCDXOGQUEZBI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds6

About ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate

ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate (PubChem CID 55025429) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
PubChem CID55025429
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
SMILESCCOC(=O)CNCC1CCC(CC)CC1
InChIInChI=1S/C13H25NO2/c1-3-11-5-7-12(8-6-11)9-14-10-13(15)16-4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyZNLCDXOGQUEZBI-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(4-ethylcyclohexyl)methylamino]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

ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
ethyl 2-(thiolan-2-ylmethylamino)acetate
CID 80585602
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate
CID 176575986
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate (CID 55025429) is ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate is CCOC(=O)CNCC1CCC(CC)CC1.
What is the InChIKey of ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate?
The InChIKey is ZNLCDXOGQUEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11-5-7-12(8-6-11)9-14-10-13(15)16-4-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate?
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate is sourced from PubChem (CID 55025429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).