2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium

C10H21BrNO2+ — CID 162508425

IUPAC2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3/p+1
InChIKeyLCFAEVDQGRENRM-UHFFFAOYSA-O
MW267.19 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium

2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium (PubChem CID 162508425) has the molecular formula C10H21BrNO2+ and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium.

Molecular Properties

Compound Name2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium
PubChem CID162508425
Molecular FormulaC10H21BrNO2+
Molecular Weight267.19 g/mol
Exact Mass266.08
IUPAC Name2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3/p+1
InChIKeyLCFAEVDQGRENRM-UHFFFAOYSA-O
XLogP0.63
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium 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-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium?
The IUPAC name of 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium (CID 162508425) is 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium.
What is the SMILES notation for 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium?
The canonical SMILES for 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium is CC[NH+](CC)CCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium?
The InChIKey is LCFAEVDQGRENRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20BrNO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3/p+1.
What are the key properties of 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium?
2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium has a molecular weight of 267.19 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-methylpropanoyl)oxyethyl-diethylazanium is sourced from PubChem (CID 162508425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).