copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate

C18H39Cl2CuN3O8 — CID 173221848

IUPACcopper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate
SMILESCC(C)(C)N1CCN(C(C)(C)C)CCN(C(C)(C)C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H39N3.2ClHO4.Cu/c1-16(2,3)19-10-12-20(17(4,5)6)14-15-21(13-11-19)18(7,8)9;2*2-1(3,4)5;/h10-15H2,1-9H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyIECKXDXZLFEFBV-UHFFFAOYSA-L
MW559.98 g/mol
LogP-6.21
Rot. Bonds

About copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate

copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate (PubChem CID 173221848) has the molecular formula C18H39Cl2CuN3O8 and a molecular weight of 559.98 g/mol. Its IUPAC name is copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate.

Molecular Properties

Compound Namecopper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate
PubChem CID173221848
Molecular FormulaC18H39Cl2CuN3O8
Molecular Weight559.98 g/mol
Exact Mass558.14
IUPAC Namecopper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate
SMILESCC(C)(C)N1CCN(C(C)(C)C)CCN(C(C)(C)C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H39N3.2ClHO4.Cu/c1-16(2,3)19-10-12-20(17(4,5)6)14-15-21(13-11-19)18(7,8)9;2*2-1(3,4)5;/h10-15H2,1-9H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyIECKXDXZLFEFBV-UHFFFAOYSA-L
XLogP-6.21
TPSA194.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.98
LogP ≤ 5-6.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate?
The IUPAC name of copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate (CID 173221848) is copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate.
What is the SMILES notation for copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate?
The canonical SMILES for copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate is CC(C)(C)N1CCN(C(C)(C)C)CCN(C(C)(C)C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate?
The InChIKey is IECKXDXZLFEFBV-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H39N3.2ClHO4.Cu/c1-16(2,3)19-10-12-20(17(4,5)6)14-15-21(13-11-19)18(7,8)9;2*2-1(3,4)5;/h10-15H2,1-9H3;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate?
copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate has a molecular weight of 559.98 g/mol, XLogP of -6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate is sourced from PubChem (CID 173221848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).