2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium

C10H22NO2+ — CID 18721527

IUPAC2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium
SMILESCCC(C)(C)C(=O)OCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-6-10(2,3)9(12)13-8-7-11(4)5/h6-8H2,1-5H3/p+1
InChIKeyHAWCZKMCACPRII-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.11
Rot. Bonds5

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

2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium (PubChem CID 18721527) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium
PubChem CID18721527
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium
SMILESCCC(C)(C)C(=O)OCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-6-10(2,3)9(12)13-8-7-11(4)5/h6-8H2,1-5H3/p+1
InChIKeyHAWCZKMCACPRII-UHFFFAOYSA-O
XLogP0.11
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.11
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-dimethylazanium?
The IUPAC name of 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium (CID 18721527) is 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium.
What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium?
The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium is CCC(C)(C)C(=O)OCC[NH+](C)C.
What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium?
The InChIKey is HAWCZKMCACPRII-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-6-10(2,3)9(12)13-8-7-11(4)5/h6-8H2,1-5H3/p+1.
What are the key properties of 2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium?
2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium has a molecular weight of 188.29 g/mol, XLogP of 0.11, 5 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-dimethylazanium is sourced from PubChem (CID 18721527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).