bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)

C12H26N5NiO3- — CID 6333545

IUPACbis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
SMILESO=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Ni+2]
InChIInChI=1S/2C6H12N2.H2NO3.Ni/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;/h2*5-8H,1-4H2;(H2,2,3,4);/q2*-2;+1;+2
InChIKeyQAGYKSOIUZGMAI-UHFFFAOYSA-N
MW347.07 g/mol
LogP4.35
Rot. Bonds

About bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)

bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+) (PubChem CID 6333545) has the molecular formula C12H26N5NiO3- and a molecular weight of 347.07 g/mol. Its IUPAC name is bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+).

Molecular Properties

Compound Namebis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
PubChem CID6333545
Molecular FormulaC12H26N5NiO3-
Molecular Weight347.07 g/mol
Exact Mass346.14
IUPAC Namebis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
SMILESO=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Ni+2]
InChIInChI=1S/2C6H12N2.H2NO3.Ni/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;/h2*5-8H,1-4H2;(H2,2,3,4);/q2*-2;+1;+2
InChIKeyQAGYKSOIUZGMAI-UHFFFAOYSA-N
XLogP4.35
TPSA155.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.07
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
CID 131882850
[(1R)-2-azanidylcyclohexyl]azanide;diiodoplatinum(2+)
CID 44826276
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
CID 24843077
dicyclohexyldiazene;nitric acid
CID 19801404
cyclooctane;nitric acid
CID 162188863

Frequently Asked Questions

What is the IUPAC name of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)?
The IUPAC name of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+) (CID 6333545) is bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+).
What is the SMILES notation for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)?
The canonical SMILES for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+) is O=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Ni+2].
What is the InChIKey of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)?
The InChIKey is QAGYKSOIUZGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N2.H2NO3.Ni/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;/h2*5-8H,1-4H2;(H2,2,3,4);/q2*-2;+1;+2.
What are the key properties of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)?
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+) has a molecular weight of 347.07 g/mol, XLogP of 4.35, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+) is sourced from PubChem (CID 6333545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).