2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium

C15H33N2O2+ — CID 10764

IUPAC2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium
SMILESCCCCN(CCCC)C(=O)OCC[N+](C)(C)CC
InChIInChI=1S/C15H33N2O2/c1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3/h6-14H2,1-5H3/q+1
InChIKeySDEXVKFYBBHUKN-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.12
Rot. Bonds10

About 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium

2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium (PubChem CID 10764) has the molecular formula C15H33N2O2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium
PubChem CID10764
Molecular FormulaC15H33N2O2+
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Name2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium
SMILESCCCCN(CCCC)C(=O)OCC[N+](C)(C)CC
InChIInChI=1S/C15H33N2O2/c1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3/h6-14H2,1-5H3/q+1
InChIKeySDEXVKFYBBHUKN-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium?
The IUPAC name of 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium (CID 10764) is 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium.
What is the SMILES notation for 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium?
The canonical SMILES for 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium is CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC.
What is the InChIKey of 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium?
The InChIKey is SDEXVKFYBBHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2O2/c1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3/h6-14H2,1-5H3/q+1.
What are the key properties of 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium?
2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium has a molecular weight of 273.44 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium is sourced from PubChem (CID 10764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).