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

C19H35NO2 — CID 3042

💊View drug profile → dicycloverine
IUPAC2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
InChIKeyCURUTKGFNZGFSE-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.40
Rot. Bonds7

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

2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate (PubChem CID 3042) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
PubChem CID3042
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
InChIKeyCURUTKGFNZGFSE-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Dihexyverine
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Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride
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Cyprodenate
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2-(Dimethylamino)ethyl 3,5,7-trimethyl-1-adamantanecarboxylate hydrochloride
CID 2836025
Adamantane-1-carboxylic acid 2-diethylamino-ethyl ester
CID 212873
2-(Dimethylamino)ethyl adamantane-1-carboxylate
CID 2728850
Isomylamine Hydrochloride
CID 172985
(3r,5r,7r)-2-(Dimethylamino)ethyl adamantane-1-carboxylate hydrochloride
CID 9550080
Isomylamine
CID 28221
1-[2-(N,N-dimethylamino)ethoxycarbonyl]-3,5,7-trimethyladamantane
CID 2836026
Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
CID 40991

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate (CID 3042) is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate is CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate?
The InChIKey is CURUTKGFNZGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate?
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate has a molecular weight of 309.49 g/mol, XLogP of 4.40, 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-cyclohexylcyclohexane-1-carboxylate is sourced from PubChem (CID 3042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).