ditert-butyldiazene;dihydrochloride

C8H20Cl2N2 — CID 172805656

IUPACditert-butyldiazene;dihydrochloride
SMILESCC(C)(C)/N=N/C(C)(C)C.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;2*1H/b10-9+;;
InChIKeyRLXHHERJQXDHME-TTWKNDKESA-N
MW215.17 g/mol
LogP3.88
Rot. Bonds

About ditert-butyldiazene;dihydrochloride

ditert-butyldiazene;dihydrochloride (PubChem CID 172805656) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is ditert-butyldiazene;dihydrochloride.

Molecular Properties

Compound Nameditert-butyldiazene;dihydrochloride
PubChem CID172805656
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Nameditert-butyldiazene;dihydrochloride
SMILESCC(C)(C)/N=N/C(C)(C)C.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;2*1H/b10-9+;;
InChIKeyRLXHHERJQXDHME-TTWKNDKESA-N
XLogP3.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.88
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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Related Compounds

ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
CID 162254065
tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
CID 21429724
CID 102504769
CID 102504769
tert-butyl(2-hydroperoxypropan-2-yl)diazene
CID 13429215
tert-butyl(ethenyl)diazene
CID 22726336
tert-butyl(2-isothiocyanatopropan-2-yl)diazene
CID 21431205
tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene
CID 11309685
2-(tert-butyldiazenyl)pentan-2-ol
CID 21412753
N-tert-butyliminoformamide
CID 91504950
tert-butyl(2,2-dimethylpropyl)diazene
CID 58200153
tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
CID 14315819
bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)
CID 155649796

Frequently Asked Questions

What is the IUPAC name of ditert-butyldiazene;dihydrochloride?
The IUPAC name of ditert-butyldiazene;dihydrochloride (CID 172805656) is ditert-butyldiazene;dihydrochloride.
What is the SMILES notation for ditert-butyldiazene;dihydrochloride?
The canonical SMILES for ditert-butyldiazene;dihydrochloride is CC(C)(C)/N=N/C(C)(C)C.Cl.Cl.
What is the InChIKey of ditert-butyldiazene;dihydrochloride?
The InChIKey is RLXHHERJQXDHME-TTWKNDKESA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;2*1H/b10-9+;;.
What are the key properties of ditert-butyldiazene;dihydrochloride?
ditert-butyldiazene;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyldiazene;dihydrochloride is sourced from PubChem (CID 172805656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).