diethylazanium

C4H12N+ — CID 3793118

IUPACdiethylazanium
SMILESCC[NH2+]CC
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/p+1
InChIKeyHPNMFZURTQLUMO-UHFFFAOYSA-O
MW74.15 g/mol
LogP-0.41
Rot. Bonds2

About diethylazanium

diethylazanium (PubChem CID 3793118) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is diethylazanium.

Molecular Properties

Compound Namediethylazanium
PubChem CID3793118
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Namediethylazanium
SMILESCC[NH2+]CC
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/p+1
InChIKeyHPNMFZURTQLUMO-UHFFFAOYSA-O
XLogP-0.41
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 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 diethylazanium?
The IUPAC name of diethylazanium (CID 3793118) is diethylazanium.
What is the SMILES notation for diethylazanium?
The canonical SMILES for diethylazanium is CC[NH2+]CC.
What is the InChIKey of diethylazanium?
The InChIKey is HPNMFZURTQLUMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/p+1.
What are the key properties of diethylazanium?
diethylazanium has a molecular weight of 74.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium is sourced from PubChem (CID 3793118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).