N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide

C14H23FeN8 — CID 88790343

IUPACN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide
SMILESCN(C)CCN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C9H23N3.5CN.Fe/c1-10(2)6-8-12(5)9-7-11(3)4;5*1-2;/h6-9H2,1-5H3;;;;;;/q;5*-1;+5
InChIKeyCUHCQKRJXCCZAR-UHFFFAOYSA-N
MW359.24 g/mol
LogP0.52
Rot. Bonds6

About N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide

N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide (PubChem CID 88790343) has the molecular formula C14H23FeN8 and a molecular weight of 359.24 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide
PubChem CID88790343
Molecular FormulaC14H23FeN8
Molecular Weight359.24 g/mol
Exact Mass359.14
IUPAC NameN'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide
SMILESCN(C)CCN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C9H23N3.5CN.Fe/c1-10(2)6-8-12(5)9-7-11(3)4;5*1-2;/h6-9H2,1-5H3;;;;;;/q;5*-1;+5
InChIKeyCUHCQKRJXCCZAR-UHFFFAOYSA-N
XLogP0.52
TPSA128.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide (CID 88790343) is N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide is CN(C)CCN(C)CCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide?
The InChIKey is CUHCQKRJXCCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3.5CN.Fe/c1-10(2)6-8-12(5)9-7-11(3)4;5*1-2;/h6-9H2,1-5H3;;;;;;/q;5*-1;+5.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide?
N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide has a molecular weight of 359.24 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;iron(5+);pentacyanide is sourced from PubChem (CID 88790343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).