bis(5,5-dimethylhexyl)diazene

C16H34N2 — CID 18784258

IUPACbis(5,5-dimethylhexyl)diazene
SMILESCC(C)(C)CCCC/N=N/CCCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-15(2,3)11-7-9-13-17-18-14-10-8-12-16(4,5)6/h7-14H2,1-6H3/b18-17+
InChIKeyVQJGDQSYRPFOJR-ISLYRVAYSA-N
MW254.46 g/mol
LogP5.87
Rot. Bonds8

About bis(5,5-dimethylhexyl)diazene

bis(5,5-dimethylhexyl)diazene (PubChem CID 18784258) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is bis(5,5-dimethylhexyl)diazene.

Molecular Properties

Compound Namebis(5,5-dimethylhexyl)diazene
PubChem CID18784258
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namebis(5,5-dimethylhexyl)diazene
SMILESCC(C)(C)CCCC/N=N/CCCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-15(2,3)11-7-9-13-17-18-14-10-8-12-16(4,5)6/h7-14H2,1-6H3/b18-17+
InChIKeyVQJGDQSYRPFOJR-ISLYRVAYSA-N
XLogP5.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
7-chloro-2,2-dimethyloctane
CID 64515628
1-bromo-7,7-dimethyloctane
CID 18985391
2,2-dimethylundecane;hydrobromide
CID 172814192
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
azane;2,2-dimethylundecane
CID 172735807
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
9,9-dimethyldecane-1-thiol
CID 522495
4,4-dimethylpentan-1-amine
CID 14454757

Frequently Asked Questions

What is the IUPAC name of bis(5,5-dimethylhexyl)diazene?
The IUPAC name of bis(5,5-dimethylhexyl)diazene (CID 18784258) is bis(5,5-dimethylhexyl)diazene.
What is the SMILES notation for bis(5,5-dimethylhexyl)diazene?
The canonical SMILES for bis(5,5-dimethylhexyl)diazene is CC(C)(C)CCCC/N=N/CCCCC(C)(C)C.
What is the InChIKey of bis(5,5-dimethylhexyl)diazene?
The InChIKey is VQJGDQSYRPFOJR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15(2,3)11-7-9-13-17-18-14-10-8-12-16(4,5)6/h7-14H2,1-6H3/b18-17+.
What are the key properties of bis(5,5-dimethylhexyl)diazene?
bis(5,5-dimethylhexyl)diazene has a molecular weight of 254.46 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-dimethylhexyl)diazene is sourced from PubChem (CID 18784258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).