2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride

C15H33ClN2O2 — CID 16233

IUPAC2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride
SMILESCCCCN(CCCC)C(=O)OCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C15H32N2O2.ClH/c1-5-9-11-17(12-10-6-2)15(18)19-14-13-16(7-3)8-4;/h5-14H2,1-4H3;1H
InChIKeyFUHSQGPJRPKODU-UHFFFAOYSA-N
MW308.89 g/mol
LogP-1.05
Rot. Bonds11

About 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride

2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride (PubChem CID 16233) has the molecular formula C15H33ClN2O2 and a molecular weight of 308.89 g/mol. Its IUPAC name is 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride
PubChem CID16233
Molecular FormulaC15H33ClN2O2
Molecular Weight308.89 g/mol
Exact Mass308.22
IUPAC Name2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride
SMILESCCCCN(CCCC)C(=O)OCC[NH+](CC)CC.[Cl-]
InChIInChI=1S/C15H32N2O2.ClH/c1-5-9-11-17(12-10-6-2)15(18)19-14-13-16(7-3)8-4;/h5-14H2,1-4H3;1H
InChIKeyFUHSQGPJRPKODU-UHFFFAOYSA-N
XLogP-1.05
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.89
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride?
The IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride (CID 16233) is 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride.
What is the SMILES notation for 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride?
The canonical SMILES for 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride is CCCCN(CCCC)C(=O)OCC[NH+](CC)CC.[Cl-].
What is the InChIKey of 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride?
The InChIKey is FUHSQGPJRPKODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2.ClH/c1-5-9-11-17(12-10-6-2)15(18)19-14-13-16(7-3)8-4;/h5-14H2,1-4H3;1H.
What are the key properties of 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride?
2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride has a molecular weight of 308.89 g/mol, XLogP of -1.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylcarbamoyloxy)ethyl-diethylazanium chloride is sourced from PubChem (CID 16233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).