iron;tetrabutylazanium;chloride

C16H36ClFeN — CID 157427266

IUPACiron;tetrabutylazanium;chloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Fe]
InChIInChI=1S/C16H36N.ClH.Fe/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;/q+1;;/p-1
InChIKeyBQCJGUPZKMVYMF-UHFFFAOYSA-M
MW333.77 g/mol
LogP2.01
Rot. Bonds12

About iron;tetrabutylazanium;chloride

iron;tetrabutylazanium;chloride (PubChem CID 157427266) has the molecular formula C16H36ClFeN and a molecular weight of 333.77 g/mol. Its IUPAC name is iron;tetrabutylazanium;chloride.

Molecular Properties

Compound Nameiron;tetrabutylazanium;chloride
PubChem CID157427266
Molecular FormulaC16H36ClFeN
Molecular Weight333.77 g/mol
Exact Mass333.19
IUPAC Nameiron;tetrabutylazanium;chloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Fe]
InChIInChI=1S/C16H36N.ClH.Fe/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;/q+1;;/p-1
InChIKeyBQCJGUPZKMVYMF-UHFFFAOYSA-M
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
tetrabutylazanium;chloride;hydrobromide
CID 160850218
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CID 25141921
dibutyl(dihexadecyl)azanium chloride
CID 87778770
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
ethanol;tetrabutylazanium;chloride
CID 175552872
butyl-dipentyl-propylazanium chloride
CID 88839521
tributyl(triacontyl)azanium
CID 153322884
potassium;tetrabutylazanium;diiodide
CID 144841578

Frequently Asked Questions

What is the IUPAC name of iron;tetrabutylazanium;chloride?
The IUPAC name of iron;tetrabutylazanium;chloride (CID 157427266) is iron;tetrabutylazanium;chloride.
What is the SMILES notation for iron;tetrabutylazanium;chloride?
The canonical SMILES for iron;tetrabutylazanium;chloride is CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Fe].
What is the InChIKey of iron;tetrabutylazanium;chloride?
The InChIKey is BQCJGUPZKMVYMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.ClH.Fe/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;/q+1;;/p-1.
What are the key properties of iron;tetrabutylazanium;chloride?
iron;tetrabutylazanium;chloride has a molecular weight of 333.77 g/mol, XLogP of 2.01, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;tetrabutylazanium;chloride is sourced from PubChem (CID 157427266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).