bis(ethane-1,2-diamine);nickel;dinitrite

C4H16N6NiO4-2 — CID 18518984

IUPACbis(ethane-1,2-diamine);nickel;dinitrite
SMILESNCCN.NCCN.O=N[O-].O=N[O-].[Ni]
InChIInChI=1S/2C2H8N2.2HNO2.Ni/c2*3-1-2-4;2*2-1-3;/h2*1-4H2;2*(H,2,3);/p-2
InChIKeyUGYBRZQZDFHFJG-UHFFFAOYSA-L
MW270.90 g/mol
LogP-1.69
Rot. Bonds2

About bis(ethane-1,2-diamine);nickel;dinitrite

bis(ethane-1,2-diamine);nickel;dinitrite (PubChem CID 18518984) has the molecular formula C4H16N6NiO4-2 and a molecular weight of 270.90 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);nickel;dinitrite.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);nickel;dinitrite
PubChem CID18518984
Molecular FormulaC4H16N6NiO4-2
Molecular Weight270.90 g/mol
Exact Mass270.06
IUPAC Namebis(ethane-1,2-diamine);nickel;dinitrite
SMILESNCCN.NCCN.O=N[O-].O=N[O-].[Ni]
InChIInChI=1S/2C2H8N2.2HNO2.Ni/c2*3-1-2-4;2*2-1-3;/h2*1-4H2;2*(H,2,3);/p-2
InChIKeyUGYBRZQZDFHFJG-UHFFFAOYSA-L
XLogP-1.69
TPSA209.06 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.90
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', '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 bis(ethane-1,2-diamine);nickel;dinitrite?
The IUPAC name of bis(ethane-1,2-diamine);nickel;dinitrite (CID 18518984) is bis(ethane-1,2-diamine);nickel;dinitrite.
What is the SMILES notation for bis(ethane-1,2-diamine);nickel;dinitrite?
The canonical SMILES for bis(ethane-1,2-diamine);nickel;dinitrite is NCCN.NCCN.O=N[O-].O=N[O-].[Ni].
What is the InChIKey of bis(ethane-1,2-diamine);nickel;dinitrite?
The InChIKey is UGYBRZQZDFHFJG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H8N2.2HNO2.Ni/c2*3-1-2-4;2*2-1-3;/h2*1-4H2;2*(H,2,3);/p-2.
What are the key properties of bis(ethane-1,2-diamine);nickel;dinitrite?
bis(ethane-1,2-diamine);nickel;dinitrite has a molecular weight of 270.90 g/mol, XLogP of -1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);nickel;dinitrite is sourced from PubChem (CID 18518984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).