2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium

C12H26NO2+ — CID 18721070

IUPAC2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-12(4,5)11(14)15-10-9-13(7-2)8-3/h6-10H2,1-5H3/p+1
InChIKeyYBRNNBIZPIIXTF-UHFFFAOYSA-O
MW216.34 g/mol
LogP0.89
Rot. Bonds7

About 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium

2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium (PubChem CID 18721070) has the molecular formula C12H26NO2+ and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium
PubChem CID18721070
Molecular FormulaC12H26NO2+
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-12(4,5)11(14)15-10-9-13(7-2)8-3/h6-10H2,1-5H3/p+1
InChIKeyYBRNNBIZPIIXTF-UHFFFAOYSA-O
XLogP0.89
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium?
The IUPAC name of 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium (CID 18721070) is 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium.
What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium?
The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium is CC[NH+](CC)CCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium?
The InChIKey is YBRNNBIZPIIXTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25NO2/c1-6-12(4,5)11(14)15-10-9-13(7-2)8-3/h6-10H2,1-5H3/p+1.
What are the key properties of 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium?
2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium has a molecular weight of 216.34 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoyloxy)ethyl-diethylazanium is sourced from PubChem (CID 18721070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).