bis(2-azidopropan-2-yl)diazene;dihydrochloride

C6H14Cl2N8 — CID 159195993

IUPACbis(2-azidopropan-2-yl)diazene;dihydrochloride
SMILESCC(C)(N=NC(C)(C)N=[N+]=[N-])N=[N+]=[N-].Cl.Cl
InChIInChI=1S/C6H12N8.2ClH/c1-5(2,11-13-7)9-10-6(3,4)12-14-8;;/h1-4H3;2*1H
InChIKeyXLIGCKKZTGAQFN-UHFFFAOYSA-N
MW269.14 g/mol
LogP4.38
Rot. Bonds4

About bis(2-azidopropan-2-yl)diazene;dihydrochloride

bis(2-azidopropan-2-yl)diazene;dihydrochloride (PubChem CID 159195993) has the molecular formula C6H14Cl2N8 and a molecular weight of 269.14 g/mol. Its IUPAC name is bis(2-azidopropan-2-yl)diazene;dihydrochloride.

Molecular Properties

Compound Namebis(2-azidopropan-2-yl)diazene;dihydrochloride
PubChem CID159195993
Molecular FormulaC6H14Cl2N8
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Namebis(2-azidopropan-2-yl)diazene;dihydrochloride
SMILESCC(C)(N=NC(C)(C)N=[N+]=[N-])N=[N+]=[N-].Cl.Cl
InChIInChI=1S/C6H12N8.2ClH/c1-5(2,11-13-7)9-10-6(3,4)12-14-8;;/h1-4H3;2*1H
InChIKeyXLIGCKKZTGAQFN-UHFFFAOYSA-N
XLogP4.38
TPSA122.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-azidopropan-2-yl)diazene;dihydrochloride?
The IUPAC name of bis(2-azidopropan-2-yl)diazene;dihydrochloride (CID 159195993) is bis(2-azidopropan-2-yl)diazene;dihydrochloride.
What is the SMILES notation for bis(2-azidopropan-2-yl)diazene;dihydrochloride?
The canonical SMILES for bis(2-azidopropan-2-yl)diazene;dihydrochloride is CC(C)(N=NC(C)(C)N=[N+]=[N-])N=[N+]=[N-].Cl.Cl.
What is the InChIKey of bis(2-azidopropan-2-yl)diazene;dihydrochloride?
The InChIKey is XLIGCKKZTGAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N8.2ClH/c1-5(2,11-13-7)9-10-6(3,4)12-14-8;;/h1-4H3;2*1H.
What are the key properties of bis(2-azidopropan-2-yl)diazene;dihydrochloride?
bis(2-azidopropan-2-yl)diazene;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-azidopropan-2-yl)diazene;dihydrochloride is sourced from PubChem (CID 159195993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).