copper;bis(ethane-1,2-diamine);dinitrate

C4H16CuN6O6 — CID 12983909

IUPACcopper;bis(ethane-1,2-diamine);dinitrate
SMILESNCCN.NCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C2H8N2.Cu.2NO3/c2*3-1-2-4;;2*2-1(3)4/h2*1-4H2;;;/q;;+2;2*-1
InChIKeyLGXQFAUJZXSQQZ-UHFFFAOYSA-N
MW307.75 g/mol
LogP-2.67
Rot. Bonds2

About copper;bis(ethane-1,2-diamine);dinitrate

copper;bis(ethane-1,2-diamine);dinitrate (PubChem CID 12983909) has the molecular formula C4H16CuN6O6 and a molecular weight of 307.75 g/mol. Its IUPAC name is copper;bis(ethane-1,2-diamine);dinitrate.

Molecular Properties

Compound Namecopper;bis(ethane-1,2-diamine);dinitrate
PubChem CID12983909
Molecular FormulaC4H16CuN6O6
Molecular Weight307.75 g/mol
Exact Mass307.04
IUPAC Namecopper;bis(ethane-1,2-diamine);dinitrate
SMILESNCCN.NCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C2H8N2.Cu.2NO3/c2*3-1-2-4;;2*2-1(3)4/h2*1-4H2;;;/q;;+2;2*-1
InChIKeyLGXQFAUJZXSQQZ-UHFFFAOYSA-N
XLogP-2.67
TPSA236.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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(ethane-1,2-diamine);dinitrate?
The IUPAC name of copper;bis(ethane-1,2-diamine);dinitrate (CID 12983909) is copper;bis(ethane-1,2-diamine);dinitrate.
What is the SMILES notation for copper;bis(ethane-1,2-diamine);dinitrate?
The canonical SMILES for copper;bis(ethane-1,2-diamine);dinitrate is NCCN.NCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;bis(ethane-1,2-diamine);dinitrate?
The InChIKey is LGXQFAUJZXSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2.Cu.2NO3/c2*3-1-2-4;;2*2-1(3)4/h2*1-4H2;;;/q;;+2;2*-1.
What are the key properties of copper;bis(ethane-1,2-diamine);dinitrate?
copper;bis(ethane-1,2-diamine);dinitrate has a molecular weight of 307.75 g/mol, XLogP of -2.67, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(ethane-1,2-diamine);dinitrate is sourced from PubChem (CID 12983909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).