ethyl 4-[(2-ethylcyclohexyl)amino]butanoate

C14H27NO2 — CID 64580465

IUPACethyl 4-[(2-ethylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCCCC1CC
InChIInChI=1S/C14H27NO2/c1-3-12-8-5-6-9-13(12)15-11-7-10-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXCGZUAWVCBOVED-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds7

About ethyl 4-[(2-ethylcyclohexyl)amino]butanoate

ethyl 4-[(2-ethylcyclohexyl)amino]butanoate (PubChem CID 64580465) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 4-[(2-ethylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethylcyclohexyl)amino]butanoate
PubChem CID64580465
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 4-[(2-ethylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCCCC1CC
InChIInChI=1S/C14H27NO2/c1-3-12-8-5-6-9-13(12)15-11-7-10-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXCGZUAWVCBOVED-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
CID 79541683
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953
ethyl 4-[(2,6-dimethylcyclohexyl)amino]butanoate
CID 64580844
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
N-cyclopropyl-3-[(2-ethylcyclohexyl)amino]propanamide
CID 62627749
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
CID 60661333
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
N-cyclopropyl-3-[(2-ethylcyclopentyl)amino]propanamide
CID 115714181

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethylcyclohexyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-ethylcyclohexyl)amino]butanoate (CID 64580465) is ethyl 4-[(2-ethylcyclohexyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-ethylcyclohexyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-ethylcyclohexyl)amino]butanoate is CCOC(=O)CCCNC1CCCCC1CC.
What is the InChIKey of ethyl 4-[(2-ethylcyclohexyl)amino]butanoate?
The InChIKey is XCGZUAWVCBOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-12-8-5-6-9-13(12)15-11-7-10-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[(2-ethylcyclohexyl)amino]butanoate?
ethyl 4-[(2-ethylcyclohexyl)amino]butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethylcyclohexyl)amino]butanoate is sourced from PubChem (CID 64580465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).