2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride

C19H36ClNO2 — CID 657341

IUPAC2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-].[H+]
InChIInChI=1S/C19H35NO2.ClH/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;1H
InChIKeyGUBNMFJOJGDCEL-UHFFFAOYSA-N
MW345.96 g/mol
LogP1.52
Rot. Bonds7

About 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride

2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride (PubChem CID 657341) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
PubChem CID657341
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-].[H+]
InChIInChI=1S/C19H35NO2.ClH/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;1H
InChIKeyGUBNMFJOJGDCEL-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.96
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
CID 3056672
(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-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
CID 659362
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-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
CID 22155889
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046844
2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
CID 146470372

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride?
The IUPAC name of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride (CID 657341) is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride.
What is the SMILES notation for 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride?
The canonical SMILES for 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride is CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-].[H+].
What is the InChIKey of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride?
The InChIKey is GUBNMFJOJGDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.ClH/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;1H.
What are the key properties of 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride?
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride has a molecular weight of 345.96 g/mol, XLogP of 1.52, 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;hydron;chloride is sourced from PubChem (CID 657341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).