1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride

C19H36ClNO2 — CID 67411505

IUPAC1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride
SMILESCCN(CC)CCC1(C2(C(=O)O)CCCCC2)CCCCC1.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-15-18(11-7-5-8-12-18)19(17(21)22)13-9-6-10-14-19;/h3-16H2,1-2H3,(H,21,22);1H
InChIKeyZHJLEUOGQJSKHV-UHFFFAOYSA-N
MW345.96 g/mol
LogP5.13
Rot. Bonds7

About 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride

1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 67411505) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID67411505
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride
SMILESCCN(CC)CCC1(C2(C(=O)O)CCCCC2)CCCCC1.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-15-18(11-7-5-8-12-18)19(17(21)22)13-9-6-10-14-19;/h3-16H2,1-2H3,(H,21,22);1H
InChIKeyZHJLEUOGQJSKHV-UHFFFAOYSA-N
XLogP5.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.96
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607602
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-(4-cyclohexyl-1-decyl-4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607559
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride (CID 67411505) is 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride is CCN(CC)CCC1(C2(C(=O)O)CCCCC2)CCCCC1.Cl.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is ZHJLEUOGQJSKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-15-18(11-7-5-8-12-18)19(17(21)22)13-9-6-10-14-19;/h3-16H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride?
1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 345.96 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67411505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).