azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate

C14H32FeN4O10 — CID 157360906

IUPACazanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCN.[Fe+4].[NH4+]
InChIInChI=1S/C4H13N3.5C2H4O2.Fe.H3N/c5-1-3-7-4-2-6;5*1-2(3)4;;/h7H,1-6H2;5*1H3,(H,3,4);;1H3/q;;;;;;+4;/p-4
InChIKeyBIPZLNQCBZBGTE-UHFFFAOYSA-J
MW472.27 g/mol
LogP-7.35
Rot. Bonds4

About azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate

azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate (PubChem CID 157360906) has the molecular formula C14H32FeN4O10 and a molecular weight of 472.27 g/mol. Its IUPAC name is azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate.

Molecular Properties

Compound Nameazanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
PubChem CID157360906
Molecular FormulaC14H32FeN4O10
Molecular Weight472.27 g/mol
Exact Mass472.15
IUPAC Nameazanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCN.[Fe+4].[NH4+]
InChIInChI=1S/C4H13N3.5C2H4O2.Fe.H3N/c5-1-3-7-4-2-6;5*1-2(3)4;;/h7H,1-6H2;5*1H3,(H,3,4);;1H3/q;;;;;;+4;/p-4
InChIKeyBIPZLNQCBZBGTE-UHFFFAOYSA-J
XLogP-7.35
TPSA301.22 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.27
LogP ≤ 5-7.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
2-(2-aminoethylamino)ethanol;tris(triethylazanium);triacetate
CID 158624766
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360

Frequently Asked Questions

What is the IUPAC name of azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate?
The IUPAC name of azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate (CID 157360906) is azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate.
What is the SMILES notation for azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate?
The canonical SMILES for azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCN.[Fe+4].[NH4+].
What is the InChIKey of azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate?
The InChIKey is BIPZLNQCBZBGTE-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H13N3.5C2H4O2.Fe.H3N/c5-1-3-7-4-2-6;5*1-2(3)4;;/h7H,1-6H2;5*1H3,(H,3,4);;1H3/q;;;;;;+4;/p-4.
What are the key properties of azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate?
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate has a molecular weight of 472.27 g/mol, XLogP of -7.35, 4 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate is sourced from PubChem (CID 157360906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).