2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride

C19H36ClNO2 — CID 46878358

IUPAC2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-]
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
LogP-0.01
Rot. Bonds7

About 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride

2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride (PubChem CID 46878358) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride
PubChem CID46878358
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-]
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
XLogP-0.01
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.96
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride?
The IUPAC name of 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride (CID 46878358) is 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride.
What is the SMILES notation for 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride?
The canonical SMILES for 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride is CC[NH+](CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-].
What is the InChIKey of 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium 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-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride?
2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride has a molecular weight of 345.96 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylcyclohexanecarbonyl)oxyethyl-diethylazanium chloride is sourced from PubChem (CID 46878358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).