iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide

C11H16FeN7 — CID 88790410

IUPACiron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
SMILESCN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H16N2.5CN.Fe/c1-7(2)5-6-8(3)4;5*1-2;/h5-6H2,1-4H3;;;;;;/q;5*-1;+5
InChIKeyIDQIWYIVCACPNO-UHFFFAOYSA-N
MW302.14 g/mol
LogP0.59
Rot. Bonds3

About iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide

iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide (PubChem CID 88790410) has the molecular formula C11H16FeN7 and a molecular weight of 302.14 g/mol. Its IUPAC name is iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide.

Molecular Properties

Compound Nameiron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
PubChem CID88790410
Molecular FormulaC11H16FeN7
Molecular Weight302.14 g/mol
Exact Mass302.08
IUPAC Nameiron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
SMILESCN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H16N2.5CN.Fe/c1-7(2)5-6-8(3)4;5*1-2;/h5-6H2,1-4H3;;;;;;/q;5*-1;+5
InChIKeyIDQIWYIVCACPNO-UHFFFAOYSA-N
XLogP0.59
TPSA125.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide?
The IUPAC name of iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide (CID 88790410) is iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide.
What is the SMILES notation for iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide?
The canonical SMILES for iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide is CN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide?
The InChIKey is IDQIWYIVCACPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.5CN.Fe/c1-7(2)5-6-8(3)4;5*1-2;/h5-6H2,1-4H3;;;;;;/q;5*-1;+5.
What are the key properties of iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide?
iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide has a molecular weight of 302.14 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide is sourced from PubChem (CID 88790410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).