bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate

C8H26ClN4NiO6+3 — CID 54600463

IUPACbis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate
SMILESNCCNCC[OH2+].NCCNCC[OH2+].[Ni+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C4H12N2O.ClHO4.Ni/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
InChIKeyQMNXNTPINLTBJK-UHFFFAOYSA-O
MW368.46 g/mol
LogP-8.24
Rot. Bonds8

About bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate

bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate (PubChem CID 54600463) has the molecular formula C8H26ClN4NiO6+3 and a molecular weight of 368.46 g/mol. Its IUPAC name is bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate.

Molecular Properties

Compound Namebis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate
PubChem CID54600463
Molecular FormulaC8H26ClN4NiO6+3
Molecular Weight368.46 g/mol
Exact Mass367.09
IUPAC Namebis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate
SMILESNCCNCC[OH2+].NCCNCC[OH2+].[Ni+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C4H12N2O.ClHO4.Ni/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
InChIKeyQMNXNTPINLTBJK-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 ≤ 500368.46
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 bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate?
The IUPAC name of bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate (CID 54600463) is bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate.
What is the SMILES notation for bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate?
The canonical SMILES for bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate is NCCNCC[OH2+].NCCNCC[OH2+].[Ni+2].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate?
The InChIKey is QMNXNTPINLTBJK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H12N2O.ClHO4.Ni/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 bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate?
bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate has a molecular weight of 368.46 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 bis(2-(2-aminoethylamino)ethyloxidanium);nickel(2+);perchlorate is sourced from PubChem (CID 54600463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).