ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate

C16H31NO2 — CID 64541600

IUPACethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCCC1CC
InChIInChI=1S/C16H31NO2/c1-5-14-11-9-10-12-16(14,17(6-2)7-3)13-15(18)19-8-4/h14H,5-13H2,1-4H3
InChIKeyXBTFRUUXUCYDGW-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.62
Rot. Bonds7

About ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate

ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate (PubChem CID 64541600) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
PubChem CID64541600
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCCC1CC
InChIInChI=1S/C16H31NO2/c1-5-14-11-9-10-12-16(14,17(6-2)7-3)13-15(18)19-8-4/h14H,5-13H2,1-4H3
InChIKeyXBTFRUUXUCYDGW-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421000
ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
CID 65087751
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethyl 2-(2-butyl-1-cyanocyclohexyl)acetate
CID 54448790
ethyl 2-[(1S,6S)-7,9-dioxabicyclo[4.2.1]nonan-6-yl]acetate
CID 14445035
ethyl 2-[3-(diethylamino)-1,1-dioxothiolan-3-yl]acetate
CID 64541828
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503
ethyl 2-(1,4-dioxospiro[4.5]decan-10-yl)acetate
CID 101195037
trans-tert-butyl (1R,2R)-1-amino-2-ethylcyclohexane-1-carboxylate
CID 125426213
ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
CID 65235828
ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
CID 64624874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate (CID 64541600) is ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate is CCOC(=O)CC1(N(CC)CC)CCCCC1CC.
What is the InChIKey of ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate?
The InChIKey is XBTFRUUXUCYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-14-11-9-10-12-16(14,17(6-2)7-3)13-15(18)19-8-4/h14H,5-13H2,1-4H3.
What are the key properties of ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate?
ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate has a molecular weight of 269.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate is sourced from PubChem (CID 64541600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).