(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride

C19H36ClNO2 — CID 6218

IUPAC(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)CCC(=O)OC1(C2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-13-18(21)22-19(14-9-6-10-15-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKeyAULRFYJVPYOPHU-UHFFFAOYSA-N
MW345.96 g/mol
LogP4.97
Rot. Bonds7

About (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride

(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride (PubChem CID 6218) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride.

Molecular Properties

Compound Name(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
PubChem CID6218
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)CCC(=O)OC1(C2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-13-18(21)22-19(14-9-6-10-15-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKeyAULRFYJVPYOPHU-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclohexylcyclopentyl) acetate
CID 12039389
2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
CID 3056672
(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
CID 158761805
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
CID 657341
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1-cyclohexylcyclopropyl) acetate
CID 91131251
1-O-(1-cyclopentylcyclohexyl) 4-O-(1-ethylcyclohexyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372407
3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
CID 121273660
2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
CID 139468482
4-O-(1-cyclohexylcyclopropyl) 1-O-methyl 2-methylidenebutanedioate
CID 155255762
2,3,4,5,6,7,8,8a-octahydrochromen-4a-yl butanoate
CID 91141680
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443098

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride?
The IUPAC name of (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride (CID 6218) is (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride.
What is the SMILES notation for (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride?
The canonical SMILES for (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride is CCN(CC)CCC(=O)OC1(C2CCCCC2)CCCCC1.Cl.
What is the InChIKey of (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride?
The InChIKey is AULRFYJVPYOPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)16-13-18(21)22-19(14-9-6-10-15-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H.
What are the key properties of (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride?
(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride has a molecular weight of 345.96 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride is sourced from PubChem (CID 6218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).