tetrabutylazanium

C16H36N+ — CID 16028

IUPACtetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
InChIKeyDZLFLBLQUQXARW-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.00
Rot. Bonds12

About tetrabutylazanium

tetrabutylazanium (PubChem CID 16028) has the molecular formula C16H36N+ and a molecular weight of 242.47 g/mol. Its IUPAC name is tetrabutylazanium.

Molecular Properties

Compound Nametetrabutylazanium
PubChem CID16028
Molecular FormulaC16H36N+
Molecular Weight242.47 g/mol
Exact Mass242.28
IUPAC Nametetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
InChIKeyDZLFLBLQUQXARW-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrabutylazanium 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 tetrabutylazanium?
The IUPAC name of tetrabutylazanium (CID 16028) is tetrabutylazanium.
What is the SMILES notation for tetrabutylazanium?
The canonical SMILES for tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tetrabutylazanium?
The InChIKey is DZLFLBLQUQXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1.
What are the key properties of tetrabutylazanium?
tetrabutylazanium has a molecular weight of 242.47 g/mol, XLogP of 5.00, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium is sourced from PubChem (CID 16028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).