2-(dibutylcarbamoyloxy)ethyl-triethylazanium

C17H37N2O2+ — CID 24833385

IUPAC2-(dibutylcarbamoyloxy)ethyl-triethylazanium
SMILESCCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC
InChIInChI=1S/C17H37N2O2/c1-6-11-13-18(14-12-7-2)17(20)21-16-15-19(8-3,9-4)10-5/h6-16H2,1-5H3/q+1
InChIKeyXFXGCXHXGIKVOA-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.90
Rot. Bonds12

About 2-(dibutylcarbamoyloxy)ethyl-triethylazanium

2-(dibutylcarbamoyloxy)ethyl-triethylazanium (PubChem CID 24833385) has the molecular formula C17H37N2O2+ and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(dibutylcarbamoyloxy)ethyl-triethylazanium.

Molecular Properties

Compound Name2-(dibutylcarbamoyloxy)ethyl-triethylazanium
PubChem CID24833385
Molecular FormulaC17H37N2O2+
Molecular Weight301.50 g/mol
Exact Mass301.28
IUPAC Name2-(dibutylcarbamoyloxy)ethyl-triethylazanium
SMILESCCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC
InChIInChI=1S/C17H37N2O2/c1-6-11-13-18(14-12-7-2)17(20)21-16-15-19(8-3,9-4)10-5/h6-16H2,1-5H3/q+1
InChIKeyXFXGCXHXGIKVOA-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
propyl N,N-diheptylcarbamate
CID 168918832
propyl N-butyl-N-(2,2-dimethylpropyl)carbamate
CID 89281489
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
2-acetyloxyethyl(triethyl)azanium bromide
CID 24833373
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
trimethylsilyl N,N-dibutylcarbamate
CID 13183036
2-dodecanoyloxyethyl-diethyl-tetradecylazanium chloride
CID 14625534

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-triethylazanium?
The IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-triethylazanium (CID 24833385) is 2-(dibutylcarbamoyloxy)ethyl-triethylazanium.
What is the SMILES notation for 2-(dibutylcarbamoyloxy)ethyl-triethylazanium?
The canonical SMILES for 2-(dibutylcarbamoyloxy)ethyl-triethylazanium is CCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC.
What is the InChIKey of 2-(dibutylcarbamoyloxy)ethyl-triethylazanium?
The InChIKey is XFXGCXHXGIKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N2O2/c1-6-11-13-18(14-12-7-2)17(20)21-16-15-19(8-3,9-4)10-5/h6-16H2,1-5H3/q+1.
What are the key properties of 2-(dibutylcarbamoyloxy)ethyl-triethylazanium?
2-(dibutylcarbamoyloxy)ethyl-triethylazanium has a molecular weight of 301.50 g/mol, XLogP of 3.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylcarbamoyloxy)ethyl-triethylazanium is sourced from PubChem (CID 24833385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).