iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide

C15H24FeN7 — CID 88790797

IUPACiron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
SMILESCN(C)CCCCCCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C10H24N2.5CN.Fe/c1-11(2)9-7-5-6-8-10-12(3)4;5*1-2;/h5-10H2,1-4H3;;;;;;/q;5*-1;+5
InChIKeyTXXXSJNVXCNBTI-UHFFFAOYSA-N
MW358.25 g/mol
LogP2.15
Rot. Bonds7

About iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide

iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide (PubChem CID 88790797) has the molecular formula C15H24FeN7 and a molecular weight of 358.25 g/mol. Its IUPAC name is iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide.

Molecular Properties

Compound Nameiron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
PubChem CID88790797
Molecular FormulaC15H24FeN7
Molecular Weight358.25 g/mol
Exact Mass358.14
IUPAC Nameiron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
SMILESCN(C)CCCCCCN(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C10H24N2.5CN.Fe/c1-11(2)9-7-5-6-8-10-12(3)4;5*1-2;/h5-10H2,1-4H3;;;;;;/q;5*-1;+5
InChIKeyTXXXSJNVXCNBTI-UHFFFAOYSA-N
XLogP2.15
TPSA125.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
CID 88790410
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N,N-dimethyl-12-silyldodecan-1-amine
CID 154021262
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
17-iodo-N,N-dimethylheptadecan-1-amine
CID 171063182
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696

Frequently Asked Questions

What is the IUPAC name of iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide?
The IUPAC name of iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide (CID 88790797) is iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide.
What is the SMILES notation for iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide?
The canonical SMILES for iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide is CN(C)CCCCCCN(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'-tetramethylhexane-1,6-diamine;pentacyanide?
The InChIKey is TXXXSJNVXCNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.5CN.Fe/c1-11(2)9-7-5-6-8-10-12(3)4;5*1-2;/h5-10H2,1-4H3;;;;;;/q;5*-1;+5.
What are the key properties of iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide?
iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide has a molecular weight of 358.25 g/mol, XLogP of 2.15, 7 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'-tetramethylhexane-1,6-diamine;pentacyanide is sourced from PubChem (CID 88790797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).