bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)

C16H36CoN6 — CID 155649796

IUPACbis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)
SMILESCC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[Co+2]
InChIInChI=1S/2C8H18N3.Co/c2*1-7(2,3)9-11-10-8(4,5)6;/h2*1-6H3;/q2*-1;+2
InChIKeyHLWHNIMRMYIBQL-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.65
Rot. Bonds2

About bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)

bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+) (PubChem CID 155649796) has the molecular formula C16H36CoN6 and a molecular weight of 371.44 g/mol. Its IUPAC name is bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+).

Molecular Properties

Compound Namebis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)
PubChem CID155649796
Molecular FormulaC16H36CoN6
Molecular Weight371.44 g/mol
Exact Mass371.23
IUPAC Namebis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)
SMILESCC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[Co+2]
InChIInChI=1S/2C8H18N3.Co/c2*1-7(2,3)9-11-10-8(4,5)6;/h2*1-6H3;/q2*-1;+2
InChIKeyHLWHNIMRMYIBQL-UHFFFAOYSA-N
XLogP6.65
TPSA77.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris(tert-butyl-(tert-butyldiazenyl)azanide);N-(tert-butyldiazenyl)-2-methylpropan-2-amine;lanthanum(3+)
CID 161056573
lithium;bis(tert-butyl-(tert-butylazanidylamino)azanide);tert-butyl-(tert-butyldiazenyl)azanide;ethene;gold;oxolane
CID 162275766
lithium;tetrakis((tert-butyldiazenyl)-methylazanide);cobalt(2+);cobalt(3+);(2,2-dimethylpropylideneamino)-methylazanide
CID 157235465
ditert-butyldiazene;dihydrochloride
CID 172805656
lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)
CID 162293514
ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
CID 162254065
tert-butyl(ethenyl)diazene
CID 22726336
tert-butyliminourea
CID 12831311
tert-butyl(1-chloropropyl)diazene
CID 15264506
tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
CID 21429724
tert-butyl(2,2-dimethylpropyl)diazene
CID 58200153
N-tert-butyliminoformamide
CID 91504950

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)?
The IUPAC name of bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+) (CID 155649796) is bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+).
What is the SMILES notation for bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)?
The canonical SMILES for bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+) is CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.[Co+2].
What is the InChIKey of bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)?
The InChIKey is HLWHNIMRMYIBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N3.Co/c2*1-7(2,3)9-11-10-8(4,5)6;/h2*1-6H3;/q2*-1;+2.
What are the key properties of bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)?
bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+) has a molecular weight of 371.44 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+) is sourced from PubChem (CID 155649796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).