copper;ethane-1,2-diamine;dinitrate

C2H8CuN4O6 — CID 18185945

IUPACcopper;ethane-1,2-diamine;dinitrate
SMILESNCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C2H8N2.Cu.2NO3/c3-1-2-4;;2*2-1(3)4/h1-4H2;;;/q;+2;2*-1
InChIKeyJLSZPECVOXIHKN-UHFFFAOYSA-N
MW247.65 g/mol
LogP-1.58
Rot. Bonds1

About copper;ethane-1,2-diamine;dinitrate

copper;ethane-1,2-diamine;dinitrate (PubChem CID 18185945) has the molecular formula C2H8CuN4O6 and a molecular weight of 247.65 g/mol. Its IUPAC name is copper;ethane-1,2-diamine;dinitrate.

Molecular Properties

Compound Namecopper;ethane-1,2-diamine;dinitrate
PubChem CID18185945
Molecular FormulaC2H8CuN4O6
Molecular Weight247.65 g/mol
Exact Mass246.97
IUPAC Namecopper;ethane-1,2-diamine;dinitrate
SMILESNCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C2H8N2.Cu.2NO3/c3-1-2-4;;2*2-1(3)4/h1-4H2;;;/q;+2;2*-1
InChIKeyJLSZPECVOXIHKN-UHFFFAOYSA-N
XLogP-1.58
TPSA184.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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;ethane-1,2-diamine;dinitrate?
The IUPAC name of copper;ethane-1,2-diamine;dinitrate (CID 18185945) is copper;ethane-1,2-diamine;dinitrate.
What is the SMILES notation for copper;ethane-1,2-diamine;dinitrate?
The canonical SMILES for copper;ethane-1,2-diamine;dinitrate is NCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;ethane-1,2-diamine;dinitrate?
The InChIKey is JLSZPECVOXIHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.Cu.2NO3/c3-1-2-4;;2*2-1(3)4/h1-4H2;;;/q;+2;2*-1.
What are the key properties of copper;ethane-1,2-diamine;dinitrate?
copper;ethane-1,2-diamine;dinitrate has a molecular weight of 247.65 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane-1,2-diamine;dinitrate is sourced from PubChem (CID 18185945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).