iron(5+);piperidin-4-ylmethanamine;pentacyanide

C11H14FeN7 — CID 88790374

IUPACiron(5+);piperidin-4-ylmethanamine;pentacyanide
SMILESNCC1CCNCC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H14N2.5CN.Fe/c7-5-6-1-3-8-4-2-6;5*1-2;/h6,8H,1-5,7H2;;;;;;/q;5*-1;+5
InChIKeyMLGCATNSCSFCED-UHFFFAOYSA-N
MW300.13 g/mol
LogP0.42
Rot. Bonds1

About iron(5+);piperidin-4-ylmethanamine;pentacyanide

iron(5+);piperidin-4-ylmethanamine;pentacyanide (PubChem CID 88790374) has the molecular formula C11H14FeN7 and a molecular weight of 300.13 g/mol. Its IUPAC name is iron(5+);piperidin-4-ylmethanamine;pentacyanide.

Molecular Properties

Compound Nameiron(5+);piperidin-4-ylmethanamine;pentacyanide
PubChem CID88790374
Molecular FormulaC11H14FeN7
Molecular Weight300.13 g/mol
Exact Mass300.07
IUPAC Nameiron(5+);piperidin-4-ylmethanamine;pentacyanide
SMILESNCC1CCNCC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H14N2.5CN.Fe/c7-5-6-1-3-8-4-2-6;5*1-2;/h6,8H,1-5,7H2;;;;;;/q;5*-1;+5
InChIKeyMLGCATNSCSFCED-UHFFFAOYSA-N
XLogP0.42
TPSA157.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 50.42
H-Bond Donors ≤ 52
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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Related Compounds

ethane;pyrrolidin-3-ylmethanamine
CID 142426131
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
(Z)-4-piperidin-4-ylbut-2-en-1-amine
CID 117265742
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
5-(aminomethyl)azepan-3-one
CID 57274085
(3-piperidin-4-ylcyclohexyl)methanamine
CID 83404023
diazinan-4-ylmethanamine
CID 91317227
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
piperidin-4-amine;piperidine
CID 172695620
2-azaspiro[4.5]decan-8-ylmethanamine
CID 71649170

Frequently Asked Questions

What is the IUPAC name of iron(5+);piperidin-4-ylmethanamine;pentacyanide?
The IUPAC name of iron(5+);piperidin-4-ylmethanamine;pentacyanide (CID 88790374) is iron(5+);piperidin-4-ylmethanamine;pentacyanide.
What is the SMILES notation for iron(5+);piperidin-4-ylmethanamine;pentacyanide?
The canonical SMILES for iron(5+);piperidin-4-ylmethanamine;pentacyanide is NCC1CCNCC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of iron(5+);piperidin-4-ylmethanamine;pentacyanide?
The InChIKey is MLGCATNSCSFCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.5CN.Fe/c7-5-6-1-3-8-4-2-6;5*1-2;/h6,8H,1-5,7H2;;;;;;/q;5*-1;+5.
What are the key properties of iron(5+);piperidin-4-ylmethanamine;pentacyanide?
iron(5+);piperidin-4-ylmethanamine;pentacyanide has a molecular weight of 300.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(5+);piperidin-4-ylmethanamine;pentacyanide is sourced from PubChem (CID 88790374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).