tris(ethane-1,2-diamine);nickel(2+);diperchlorate

C6H24Cl2N6NiO8 — CID 71676625

IUPACtris(ethane-1,2-diamine);nickel(2+);diperchlorate
SMILESNCCN.NCCN.NCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C2H8N2.2ClHO4.Ni/c3*3-1-2-4;2*2-1(3,4)5;/h3*1-4H2;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyLUDBOQMWJOLMBF-UHFFFAOYSA-L
MW437.89 g/mol
LogP-12.80
Rot. Bonds3

About tris(ethane-1,2-diamine);nickel(2+);diperchlorate

tris(ethane-1,2-diamine);nickel(2+);diperchlorate (PubChem CID 71676625) has the molecular formula C6H24Cl2N6NiO8 and a molecular weight of 437.89 g/mol. Its IUPAC name is tris(ethane-1,2-diamine);nickel(2+);diperchlorate.

Molecular Properties

Compound Nametris(ethane-1,2-diamine);nickel(2+);diperchlorate
PubChem CID71676625
Molecular FormulaC6H24Cl2N6NiO8
Molecular Weight437.89 g/mol
Exact Mass436.04
IUPAC Nametris(ethane-1,2-diamine);nickel(2+);diperchlorate
SMILESNCCN.NCCN.NCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C2H8N2.2ClHO4.Ni/c3*3-1-2-4;2*2-1(3,4)5;/h3*1-4H2;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyLUDBOQMWJOLMBF-UHFFFAOYSA-L
XLogP-12.80
TPSA340.60 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500437.89
LogP ≤ 5-12.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of tris(ethane-1,2-diamine);nickel(2+);diperchlorate?
The IUPAC name of tris(ethane-1,2-diamine);nickel(2+);diperchlorate (CID 71676625) is tris(ethane-1,2-diamine);nickel(2+);diperchlorate.
What is the SMILES notation for tris(ethane-1,2-diamine);nickel(2+);diperchlorate?
The canonical SMILES for tris(ethane-1,2-diamine);nickel(2+);diperchlorate is NCCN.NCCN.NCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tris(ethane-1,2-diamine);nickel(2+);diperchlorate?
The InChIKey is LUDBOQMWJOLMBF-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H8N2.2ClHO4.Ni/c3*3-1-2-4;2*2-1(3,4)5;/h3*1-4H2;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of tris(ethane-1,2-diamine);nickel(2+);diperchlorate?
tris(ethane-1,2-diamine);nickel(2+);diperchlorate has a molecular weight of 437.89 g/mol, XLogP of -12.80, 3 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethane-1,2-diamine);nickel(2+);diperchlorate is sourced from PubChem (CID 71676625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).