ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate

C15H29NO2 — CID 65236090

IUPACethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCC(CC)CC1
InChIInChI=1S/C15H29NO2/c1-4-11-16-15(12-14(17)18-6-3)9-7-13(5-2)8-10-15/h13,16H,4-12H2,1-3H3
InChIKeyLQAWDLOLTYSYQF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate

ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate (PubChem CID 65236090) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
PubChem CID65236090
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCC(CC)CC1
InChIInChI=1S/C15H29NO2/c1-4-11-16-15(12-14(17)18-6-3)9-7-13(5-2)8-10-15/h13,16H,4-12H2,1-3H3
InChIKeyLQAWDLOLTYSYQF-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-ethyl-1-(propylamino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate (CID 65236090) is ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OCC)CCC(CC)CC1.
What is the InChIKey of ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate?
The InChIKey is LQAWDLOLTYSYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-11-16-15(12-14(17)18-6-3)9-7-13(5-2)8-10-15/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate?
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 65236090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).