dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel

C10H38N6Ni2O6+2 — CID 6398134

IUPACdioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
SMILESNCCNCCN.NCCNCCN.OC(O)C(O)O.[Ni].[Ni].[OH3+].[OH3+]
InChIInChI=1S/2C4H13N3.C2H6O4.2Ni.2H2O/c2*5-1-3-7-4-2-6;3-1(4)2(5)6;;;;/h2*7H,1-6H2;1-6H;;;2*1H2/p+2
InChIKeyNONHSKLBAKZEBY-UHFFFAOYSA-P
MW455.84 g/mol
LogP-7.25
Rot. Bonds9

About dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel

dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel (PubChem CID 6398134) has the molecular formula C10H38N6Ni2O6+2 and a molecular weight of 455.84 g/mol. Its IUPAC name is dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel.

Molecular Properties

Compound Namedioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
PubChem CID6398134
Molecular FormulaC10H38N6Ni2O6+2
Molecular Weight455.84 g/mol
Exact Mass454.15
IUPAC Namedioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
SMILESNCCNCCN.NCCNCCN.OC(O)C(O)O.[Ni].[Ni].[OH3+].[OH3+]
InChIInChI=1S/2C4H13N3.C2H6O4.2Ni.2H2O/c2*5-1-3-7-4-2-6;3-1(4)2(5)6;;;;/h2*7H,1-6H2;1-6H;;;2*1H2/p+2
InChIKeyNONHSKLBAKZEBY-UHFFFAOYSA-P
XLogP-7.25
TPSA275.06 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.84
LogP ≤ 5-7.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
CID 88677444
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687

Frequently Asked Questions

What is the IUPAC name of dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel?
The IUPAC name of dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel (CID 6398134) is dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel.
What is the SMILES notation for dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel?
The canonical SMILES for dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel is NCCNCCN.NCCNCCN.OC(O)C(O)O.[Ni].[Ni].[OH3+].[OH3+].
What is the InChIKey of dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel?
The InChIKey is NONHSKLBAKZEBY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H13N3.C2H6O4.2Ni.2H2O/c2*5-1-3-7-4-2-6;3-1(4)2(5)6;;;;/h2*7H,1-6H2;1-6H;;;2*1H2/p+2.
What are the key properties of dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel?
dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel has a molecular weight of 455.84 g/mol, XLogP of -7.25, 9 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel is sourced from PubChem (CID 6398134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).