copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate

C12H34CuN5O7+3 — CID 54610828

IUPACcopper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
SMILESO=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Cu+2]
InChIInChI=1S/2C6H16N2O2.Cu.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2
InChIKeyZAUQOVLPCDEYRG-UHFFFAOYSA-P
MW423.98 g/mol
LogP-4.48
Rot. Bonds14

About copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate

copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate (PubChem CID 54610828) has the molecular formula C12H34CuN5O7+3 and a molecular weight of 423.98 g/mol. Its IUPAC name is copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate.

Molecular Properties

Compound Namecopper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
PubChem CID54610828
Molecular FormulaC12H34CuN5O7+3
Molecular Weight423.98 g/mol
Exact Mass423.17
IUPAC Namecopper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
SMILESO=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Cu+2]
InChIInChI=1S/2C6H16N2O2.Cu.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2
InChIKeyZAUQOVLPCDEYRG-UHFFFAOYSA-P
XLogP-4.48
TPSA200.58 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.98
LogP ≤ 5-4.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate
CID 139081945
Copper;1-oxa-4,7,10-triazacyclododecane;dinitrate
CID 139159341
Bis(2-azanidylethyl(2-hydroxyethyl)azanide);cobalt
CID 424672
Cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
CID 54598373
Copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate
CID 54600462
Bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate
CID 54600463
Bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);nitrate
CID 54600464
Copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate
CID 54601038
Bis(1-(2-aminoethylamino)propan-2-yloxidanium);nickel(2+);nitrate
CID 54601041
Copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);sulfate
CID 54604510
Bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nickel(2+);perchlorate
CID 54604511
Copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);perchlorate
CID 54607265

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The IUPAC name of copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate (CID 54610828) is copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate.
What is the SMILES notation for copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The canonical SMILES for copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate is O=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Cu+2].
What is the InChIKey of copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The InChIKey is ZAUQOVLPCDEYRG-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H16N2O2.Cu.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2.
What are the key properties of copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate has a molecular weight of 423.98 g/mol, XLogP of -4.48, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate is sourced from PubChem (CID 54610828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).