copper;bis(2-(2-aminoethylamino)ethanol);dinitrate

C8H24CuN6O8 — CID 139081945

IUPACcopper;bis(2-(2-aminoethylamino)ethanol);dinitrate
SMILESNCCNCCO.NCCNCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C4H12N2O.Cu.2NO3/c2*5-1-2-6-3-4-7;;2*2-1(3)4/h2*6-7H,1-5H2;;;/q;;+2;2*-1
InChIKeyDUCDFWANIRICGW-UHFFFAOYSA-N
MW395.86 g/mol
LogP-3.43
Rot. Bonds8

About copper;bis(2-(2-aminoethylamino)ethanol);dinitrate

copper;bis(2-(2-aminoethylamino)ethanol);dinitrate (PubChem CID 139081945) has the molecular formula C8H24CuN6O8 and a molecular weight of 395.86 g/mol. Its IUPAC name is copper;bis(2-(2-aminoethylamino)ethanol);dinitrate.

Molecular Properties

Compound Namecopper;bis(2-(2-aminoethylamino)ethanol);dinitrate
PubChem CID139081945
Molecular FormulaC8H24CuN6O8
Molecular Weight395.86 g/mol
Exact Mass395.10
IUPAC Namecopper;bis(2-(2-aminoethylamino)ethanol);dinitrate
SMILESNCCNCCO.NCCNCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C4H12N2O.Cu.2NO3/c2*5-1-2-6-3-4-7;;2*2-1(3)4/h2*6-7H,1-5H2;;;/q;;+2;2*-1
InChIKeyDUCDFWANIRICGW-UHFFFAOYSA-N
XLogP-3.43
TPSA248.96 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500395.86
LogP ≤ 5-3.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(2-aminoethylamino)ethanol);dinitrate?
The IUPAC name of copper;bis(2-(2-aminoethylamino)ethanol);dinitrate (CID 139081945) is copper;bis(2-(2-aminoethylamino)ethanol);dinitrate.
What is the SMILES notation for copper;bis(2-(2-aminoethylamino)ethanol);dinitrate?
The canonical SMILES for copper;bis(2-(2-aminoethylamino)ethanol);dinitrate is NCCNCCO.NCCNCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;bis(2-(2-aminoethylamino)ethanol);dinitrate?
The InChIKey is DUCDFWANIRICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2O.Cu.2NO3/c2*5-1-2-6-3-4-7;;2*2-1(3)4/h2*6-7H,1-5H2;;;/q;;+2;2*-1.
What are the key properties of copper;bis(2-(2-aminoethylamino)ethanol);dinitrate?
copper;bis(2-(2-aminoethylamino)ethanol);dinitrate has a molecular weight of 395.86 g/mol, XLogP of -3.43, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(2-aminoethylamino)ethanol);dinitrate is sourced from PubChem (CID 139081945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).