tert-butyl(ethenyl)diazene

C6H12N2 — CID 22726336

IUPACtert-butyl(ethenyl)diazene
SMILESC=C/N=N/C(C)(C)C
InChIInChI=1S/C6H12N2/c1-5-7-8-6(2,3)4/h5H,1H2,2-4H3/b8-7+
InChIKeyVWGOADXBVCGLEP-BQYQJAHWSA-N
MW112.18 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl(ethenyl)diazene

tert-butyl(ethenyl)diazene (PubChem CID 22726336) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is tert-butyl(ethenyl)diazene.

Molecular Properties

Compound Nametert-butyl(ethenyl)diazene
PubChem CID22726336
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Nametert-butyl(ethenyl)diazene
SMILESC=C/N=N/C(C)(C)C
InChIInChI=1S/C6H12N2/c1-5-7-8-6(2,3)4/h5H,1H2,2-4H3/b8-7+
InChIKeyVWGOADXBVCGLEP-BQYQJAHWSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(ethenyl)diazene?
The IUPAC name of tert-butyl(ethenyl)diazene (CID 22726336) is tert-butyl(ethenyl)diazene.
What is the SMILES notation for tert-butyl(ethenyl)diazene?
The canonical SMILES for tert-butyl(ethenyl)diazene is C=C/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(ethenyl)diazene?
The InChIKey is VWGOADXBVCGLEP-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-7-8-6(2,3)4/h5H,1H2,2-4H3/b8-7+.
What are the key properties of tert-butyl(ethenyl)diazene?
tert-butyl(ethenyl)diazene has a molecular weight of 112.18 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(ethenyl)diazene is sourced from PubChem (CID 22726336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).