iron(2+);tetraethylazanium

C8H20FeN+3 — CID 159930273

IUPACiron(2+);tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[Fe+2]
InChIInChI=1S/C8H20N.Fe/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q+1;+2
InChIKeyNZNWOEKNCNLZNW-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.88
Rot. Bonds4

About iron(2+);tetraethylazanium

iron(2+);tetraethylazanium (PubChem CID 159930273) has the molecular formula C8H20FeN+3 and a molecular weight of 186.10 g/mol. Its IUPAC name is iron(2+);tetraethylazanium.

Molecular Properties

Compound Nameiron(2+);tetraethylazanium
PubChem CID159930273
Molecular FormulaC8H20FeN+3
Molecular Weight186.10 g/mol
Exact Mass186.09
IUPAC Nameiron(2+);tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[Fe+2]
InChIInChI=1S/C8H20N.Fe/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q+1;+2
InChIKeyNZNWOEKNCNLZNW-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.88
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

tetraethylazanium hydroxide
CID 6509
tetraethylazanium;fluoride;dihydrate
CID 2776564
methanol;tetraethylazanium;hydroxide
CID 159654840
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
carbon monoxide;cobalt;tetraethylazanium
CID 131852192
tris(tetraethylazanium);borate;hydrate
CID 162118496
ethane;tetraethylazanium;octatetrafluoroborate
CID 173127151
bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)
CID 12984553
acetaldehyde;tetraethylazanium
CID 57468225
prop-1-ene;tetraethylazanium
CID 159504263
oxalic acid;tetraethylazanium
CID 24888116

Frequently Asked Questions

What is the IUPAC name of iron(2+);tetraethylazanium?
The IUPAC name of iron(2+);tetraethylazanium (CID 159930273) is iron(2+);tetraethylazanium.
What is the SMILES notation for iron(2+);tetraethylazanium?
The canonical SMILES for iron(2+);tetraethylazanium is CC[N+](CC)(CC)CC.[Fe+2].
What is the InChIKey of iron(2+);tetraethylazanium?
The InChIKey is NZNWOEKNCNLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.Fe/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q+1;+2.
What are the key properties of iron(2+);tetraethylazanium?
iron(2+);tetraethylazanium has a molecular weight of 186.10 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);tetraethylazanium is sourced from PubChem (CID 159930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).