2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate

C18H33NO2 — CID 3056672

IUPAC2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCC1
InChIInChI=1S/C18H33NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h16H,3-15H2,1-2H3
InChIKeyNMOWZORGXGDCAW-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.01
Rot. Bonds7

About 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate

2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate (PubChem CID 3056672) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
PubChem CID3056672
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCC1
InChIInChI=1S/C18H33NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h16H,3-15H2,1-2H3
InChIKeyNMOWZORGXGDCAW-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
CID 657341
(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
CID 6218
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
2-(diethylamino)ethyl 1-(4-chlorophenyl)sulfanylcyclopentane-1-carboxylate;hydrochloride
CID 3063659
2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
CID 659362
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride
CID 3051020
2-(diethylamino)ethyl N-piperidin-4-ylcarbamate
CID 15676972
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046844
2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
CID 146470372
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate (CID 3056672) is 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate is CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate?
The InChIKey is NMOWZORGXGDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h16H,3-15H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate?
2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate is sourced from PubChem (CID 3056672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).