nickel(2+);tris(propane-1,3-diamine);diperchlorate

C9H30Cl2N6NiO8 — CID 71677191

IUPACnickel(2+);tris(propane-1,3-diamine);diperchlorate
SMILESNCCCN.NCCCN.NCCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C3H10N2.2ClHO4.Ni/c3*4-2-1-3-5;2*2-1(3,4)5;/h3*1-5H2;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeySTROVXQCBGWDOX-UHFFFAOYSA-L
MW479.97 g/mol
LogP-11.63
Rot. Bonds6

About nickel(2+);tris(propane-1,3-diamine);diperchlorate

nickel(2+);tris(propane-1,3-diamine);diperchlorate (PubChem CID 71677191) has the molecular formula C9H30Cl2N6NiO8 and a molecular weight of 479.97 g/mol. Its IUPAC name is nickel(2+);tris(propane-1,3-diamine);diperchlorate.

Molecular Properties

Compound Namenickel(2+);tris(propane-1,3-diamine);diperchlorate
PubChem CID71677191
Molecular FormulaC9H30Cl2N6NiO8
Molecular Weight479.97 g/mol
Exact Mass478.09
IUPAC Namenickel(2+);tris(propane-1,3-diamine);diperchlorate
SMILESNCCCN.NCCCN.NCCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C3H10N2.2ClHO4.Ni/c3*4-2-1-3-5;2*2-1(3,4)5;/h3*1-5H2;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeySTROVXQCBGWDOX-UHFFFAOYSA-L
XLogP-11.63
TPSA340.60 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500479.97
LogP ≤ 5-11.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);tris(propane-1,3-diamine);diperchlorate?
The IUPAC name of nickel(2+);tris(propane-1,3-diamine);diperchlorate (CID 71677191) is nickel(2+);tris(propane-1,3-diamine);diperchlorate.
What is the SMILES notation for nickel(2+);tris(propane-1,3-diamine);diperchlorate?
The canonical SMILES for nickel(2+);tris(propane-1,3-diamine);diperchlorate is NCCCN.NCCCN.NCCCN.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of nickel(2+);tris(propane-1,3-diamine);diperchlorate?
The InChIKey is STROVXQCBGWDOX-UHFFFAOYSA-L. The full InChI is InChI=1S/3C3H10N2.2ClHO4.Ni/c3*4-2-1-3-5;2*2-1(3,4)5;/h3*1-5H2;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of nickel(2+);tris(propane-1,3-diamine);diperchlorate?
nickel(2+);tris(propane-1,3-diamine);diperchlorate has a molecular weight of 479.97 g/mol, XLogP of -11.63, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tris(propane-1,3-diamine);diperchlorate is sourced from PubChem (CID 71677191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).