ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate

C14H27NO2 — CID 54880898

IUPACethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
SMILESCCOC(=O)CCNCC1CCC(CC)CC1
InChIInChI=1S/C14H27NO2/c1-3-12-5-7-13(8-6-12)11-15-10-9-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyNMOLRJCSVZCLMI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.75
Rot. Bonds7

About ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate

ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate (PubChem CID 54880898) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
PubChem CID54880898
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
SMILESCCOC(=O)CCNCC1CCC(CC)CC1
InChIInChI=1S/C14H27NO2/c1-3-12-5-7-13(8-6-12)11-15-10-9-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyNMOLRJCSVZCLMI-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate (CID 54880898) is ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate is CCOC(=O)CCNCC1CCC(CC)CC1.
What is the InChIKey of ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate?
The InChIKey is NMOLRJCSVZCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-12-5-7-13(8-6-12)11-15-10-9-14(16)17-4-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate?
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate is sourced from PubChem (CID 54880898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).