tetraethylazanium;hydroxide;hydrate

C8H23NO2 — CID 87256863

IUPACtetraethylazanium;hydroxide;hydrate
SMILESCC[N+](CC)(CC)CC.O.[OH-]
InChIInChI=1S/C8H20N.2H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;2*1H2/q+1;;/p-1
InChIKeyKTWPKIIYRIEILL-UHFFFAOYSA-M
MW165.28 g/mol
LogP0.88
Rot. Bonds4

About tetraethylazanium;hydroxide;hydrate

tetraethylazanium;hydroxide;hydrate (PubChem CID 87256863) has the molecular formula C8H23NO2 and a molecular weight of 165.28 g/mol. Its IUPAC name is tetraethylazanium;hydroxide;hydrate.

Molecular Properties

Compound Nametetraethylazanium;hydroxide;hydrate
PubChem CID87256863
Molecular FormulaC8H23NO2
Molecular Weight165.28 g/mol
Exact Mass165.17
IUPAC Nametetraethylazanium;hydroxide;hydrate
SMILESCC[N+](CC)(CC)CC.O.[OH-]
InChIInChI=1S/C8H20N.2H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;2*1H2/q+1;;/p-1
InChIKeyKTWPKIIYRIEILL-UHFFFAOYSA-M
XLogP0.88
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetraethylazanium;hydroxide;hydrate 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 tetraethylazanium;hydroxide;hydrate?
The IUPAC name of tetraethylazanium;hydroxide;hydrate (CID 87256863) is tetraethylazanium;hydroxide;hydrate.
What is the SMILES notation for tetraethylazanium;hydroxide;hydrate?
The canonical SMILES for tetraethylazanium;hydroxide;hydrate is CC[N+](CC)(CC)CC.O.[OH-].
What is the InChIKey of tetraethylazanium;hydroxide;hydrate?
The InChIKey is KTWPKIIYRIEILL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.2H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;2*1H2/q+1;;/p-1.
What are the key properties of tetraethylazanium;hydroxide;hydrate?
tetraethylazanium;hydroxide;hydrate has a molecular weight of 165.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;hydroxide;hydrate is sourced from PubChem (CID 87256863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).