copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate

C8H26ClCuN4O6+3 — CID 54601038

IUPACcopper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate
SMILESNCCNCC[OH2+].NCCNCC[OH2+].[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C4H12N2O.ClHO4.Cu/c2*5-1-2-6-3-4-7;2-1(3,4)5;/h2*6-7H,1-5H2;(H,2,3,4,5);/q;;;+2/p+1
InChIKeyGQQNSHXRPPPLHO-UHFFFAOYSA-O
MW373.32 g/mol
LogP-8.24
Rot. Bonds8

About copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate

copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate (PubChem CID 54601038) has the molecular formula C8H26ClCuN4O6+3 and a molecular weight of 373.32 g/mol. Its IUPAC name is copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate.

Molecular Properties

Compound Namecopper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate
PubChem CID54601038
Molecular FormulaC8H26ClCuN4O6+3
Molecular Weight373.32 g/mol
Exact Mass372.08
IUPAC Namecopper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate
SMILESNCCNCC[OH2+].NCCNCC[OH2+].[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C4H12N2O.ClHO4.Cu/c2*5-1-2-6-3-4-7;2-1(3,4)5;/h2*6-7H,1-5H2;(H,2,3,4,5);/q;;;+2/p+1
InChIKeyGQQNSHXRPPPLHO-UHFFFAOYSA-O
XLogP-8.24
TPSA214.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 5-8.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate?
The IUPAC name of copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate (CID 54601038) is copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate.
What is the SMILES notation for copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate?
The canonical SMILES for copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate is NCCNCC[OH2+].NCCNCC[OH2+].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate?
The InChIKey is GQQNSHXRPPPLHO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H12N2O.ClHO4.Cu/c2*5-1-2-6-3-4-7;2-1(3,4)5;/h2*6-7H,1-5H2;(H,2,3,4,5);/q;;;+2/p+1.
What are the key properties of copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate?
copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate has a molecular weight of 373.32 g/mol, XLogP of -8.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(2-aminoethylamino)ethyloxidanium);perchlorate is sourced from PubChem (CID 54601038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).