ethyl 3-cyclohexyl-3-(ethylamino)butanoate

C14H27NO2 — CID 65234163

IUPACethyl 3-cyclohexyl-3-(ethylamino)butanoate
SMILESCCNC(C)(CC(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15-14(3,11-13(16)17-5-2)12-9-7-6-8-10-12/h12,15H,4-11H2,1-3H3
InChIKeyGCHJVQWOSJEWEB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

About ethyl 3-cyclohexyl-3-(ethylamino)butanoate

ethyl 3-cyclohexyl-3-(ethylamino)butanoate (PubChem CID 65234163) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-3-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-3-(ethylamino)butanoate
PubChem CID65234163
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 3-cyclohexyl-3-(ethylamino)butanoate
SMILESCCNC(C)(CC(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15-14(3,11-13(16)17-5-2)12-9-7-6-8-10-12/h12,15H,4-11H2,1-3H3
InChIKeyGCHJVQWOSJEWEB-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-cyclohexyl-3-(ethylamino)butanoate 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

3-cyclopropyl-3-(ethylamino)butanoic acid
CID 65234034
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
CID 63920437
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
ethyl 3-methyl-3-(propylamino)butanoate
CID 65236098
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-3-(ethylamino)butanoate?
The IUPAC name of ethyl 3-cyclohexyl-3-(ethylamino)butanoate (CID 65234163) is ethyl 3-cyclohexyl-3-(ethylamino)butanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-3-(ethylamino)butanoate?
The canonical SMILES for ethyl 3-cyclohexyl-3-(ethylamino)butanoate is CCNC(C)(CC(=O)OCC)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-3-(ethylamino)butanoate?
The InChIKey is GCHJVQWOSJEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-15-14(3,11-13(16)17-5-2)12-9-7-6-8-10-12/h12,15H,4-11H2,1-3H3.
What are the key properties of ethyl 3-cyclohexyl-3-(ethylamino)butanoate?
ethyl 3-cyclohexyl-3-(ethylamino)butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-3-(ethylamino)butanoate is sourced from PubChem (CID 65234163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).