2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide

C11H16FeN7O — CID 88790453

IUPAC2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
SMILESCN(CCO)CCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H16N2O.5CN.Fe/c1-8(5-6-9)4-2-3-7;5*1-2;/h9H,2-7H2,1H3;;;;;;/q;5*-1;+5
InChIKeyGSZXMVDCZUBRIJ-UHFFFAOYSA-N
MW318.14 g/mol
LogP-0.26
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide

2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide (PubChem CID 88790453) has the molecular formula C11H16FeN7O and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
PubChem CID88790453
Molecular FormulaC11H16FeN7O
Molecular Weight318.14 g/mol
Exact Mass318.08
IUPAC Name2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
SMILESCN(CCO)CCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H16N2O.5CN.Fe/c1-8(5-6-9)4-2-3-7;5*1-2;/h9H,2-7H2,1H3;;;;;;/q;5*-1;+5
InChIKeyGSZXMVDCZUBRIJ-UHFFFAOYSA-N
XLogP-0.26
TPSA168.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide (CID 88790453) is 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide is CN(CCO)CCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide?
The InChIKey is GSZXMVDCZUBRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.5CN.Fe/c1-8(5-6-9)4-2-3-7;5*1-2;/h9H,2-7H2,1H3;;;;;;/q;5*-1;+5.
What are the key properties of 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide?
2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide has a molecular weight of 318.14 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide is sourced from PubChem (CID 88790453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).