bis(2,4,4-trimethylpentyl)diazene

C16H34N2 — CID 18628215

IUPACbis(2,4,4-trimethylpentyl)diazene
SMILESCC(C/N=N/CC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-13(9-15(3,4)5)11-17-18-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/b18-17+
InChIKeyXATMFUVSYNBJBH-ISLYRVAYSA-N
MW254.46 g/mol
LogP5.58
Rot. Bonds6

About bis(2,4,4-trimethylpentyl)diazene

bis(2,4,4-trimethylpentyl)diazene (PubChem CID 18628215) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is bis(2,4,4-trimethylpentyl)diazene.

Molecular Properties

Compound Namebis(2,4,4-trimethylpentyl)diazene
PubChem CID18628215
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namebis(2,4,4-trimethylpentyl)diazene
SMILESCC(C/N=N/CC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-13(9-15(3,4)5)11-17-18-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/b18-17+
InChIKeyXATMFUVSYNBJBH-ISLYRVAYSA-N
XLogP5.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.58
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'}

Analyze bis(2,4,4-trimethylpentyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,4,4-trimethylpentyl)diazene?
The IUPAC name of bis(2,4,4-trimethylpentyl)diazene (CID 18628215) is bis(2,4,4-trimethylpentyl)diazene.
What is the SMILES notation for bis(2,4,4-trimethylpentyl)diazene?
The canonical SMILES for bis(2,4,4-trimethylpentyl)diazene is CC(C/N=N/CC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of bis(2,4,4-trimethylpentyl)diazene?
The InChIKey is XATMFUVSYNBJBH-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(9-15(3,4)5)11-17-18-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/b18-17+.
What are the key properties of bis(2,4,4-trimethylpentyl)diazene?
bis(2,4,4-trimethylpentyl)diazene has a molecular weight of 254.46 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,4-trimethylpentyl)diazene is sourced from PubChem (CID 18628215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).