ethyl 2-[cyclohexylmethyl(propyl)amino]acetate

C14H27NO2 — CID 61238525

IUPACethyl 2-[cyclohexylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-10-15(12-14(16)17-4-2)11-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3
InChIKeyJVAODXATYSSVBQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds7

About ethyl 2-[cyclohexylmethyl(propyl)amino]acetate

ethyl 2-[cyclohexylmethyl(propyl)amino]acetate (PubChem CID 61238525) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-[cyclohexylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclohexylmethyl(propyl)amino]acetate
PubChem CID61238525
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-[cyclohexylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-10-15(12-14(16)17-4-2)11-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3
InChIKeyJVAODXATYSSVBQ-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
CID 119302227
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclohexylmethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclohexylmethyl(propyl)amino]acetate (CID 61238525) is ethyl 2-[cyclohexylmethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclohexylmethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclohexylmethyl(propyl)amino]acetate is CCCN(CC(=O)OCC)CC1CCCCC1.
What is the InChIKey of ethyl 2-[cyclohexylmethyl(propyl)amino]acetate?
The InChIKey is JVAODXATYSSVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-10-15(12-14(16)17-4-2)11-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[cyclohexylmethyl(propyl)amino]acetate?
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclohexylmethyl(propyl)amino]acetate is sourced from PubChem (CID 61238525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).