diethylazanium acetate

C6H15NO2 — CID 87242293

IUPACdiethylazanium acetate
SMILESCC(=O)[O-].CC[NH2+]CC
InChIInChI=1S/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyUEHUZQKLOWYOMO-UHFFFAOYSA-N
MW133.19 g/mol
LogP-1.65
Rot. Bonds2

About diethylazanium acetate

diethylazanium acetate (PubChem CID 87242293) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is diethylazanium acetate.

Molecular Properties

Compound Namediethylazanium acetate
PubChem CID87242293
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Namediethylazanium acetate
SMILESCC(=O)[O-].CC[NH2+]CC
InChIInChI=1S/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyUEHUZQKLOWYOMO-UHFFFAOYSA-N
XLogP-1.65
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze diethylazanium acetate 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 diethylazanium acetate?
The IUPAC name of diethylazanium acetate (CID 87242293) is diethylazanium acetate.
What is the SMILES notation for diethylazanium acetate?
The canonical SMILES for diethylazanium acetate is CC(=O)[O-].CC[NH2+]CC.
What is the InChIKey of diethylazanium acetate?
The InChIKey is UEHUZQKLOWYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of diethylazanium acetate?
diethylazanium acetate has a molecular weight of 133.19 g/mol, XLogP of -1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium acetate is sourced from PubChem (CID 87242293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).