benzene;tert-butyl(2-methylpentyl)diazene

C16H28N2 — CID 70406831

IUPACbenzene;tert-butyl(2-methylpentyl)diazene
SMILESCCCC(C)C/N=N/C(C)(C)C.c1ccccc1
InChIInChI=1S/C10H22N2.C6H6/c1-6-7-9(2)8-11-12-10(3,4)5;1-2-4-6-5-3-1/h9H,6-8H2,1-5H3;1-6H/b12-11+;
InChIKeySJDAZZXCFUFAGH-CALJPSDSSA-N
MW248.41 g/mol
LogP5.36
Rot. Bonds4

About benzene;tert-butyl(2-methylpentyl)diazene

benzene;tert-butyl(2-methylpentyl)diazene (PubChem CID 70406831) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is benzene;tert-butyl(2-methylpentyl)diazene.

Molecular Properties

Compound Namebenzene;tert-butyl(2-methylpentyl)diazene
PubChem CID70406831
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Namebenzene;tert-butyl(2-methylpentyl)diazene
SMILESCCCC(C)C/N=N/C(C)(C)C.c1ccccc1
InChIInChI=1S/C10H22N2.C6H6/c1-6-7-9(2)8-11-12-10(3,4)5;1-2-4-6-5-3-1/h9H,6-8H2,1-5H3;1-6H/b12-11+;
InChIKeySJDAZZXCFUFAGH-CALJPSDSSA-N
XLogP5.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.36
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 benzene;tert-butyl(2-methylpentyl)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 benzene;tert-butyl(2-methylpentyl)diazene?
The IUPAC name of benzene;tert-butyl(2-methylpentyl)diazene (CID 70406831) is benzene;tert-butyl(2-methylpentyl)diazene.
What is the SMILES notation for benzene;tert-butyl(2-methylpentyl)diazene?
The canonical SMILES for benzene;tert-butyl(2-methylpentyl)diazene is CCCC(C)C/N=N/C(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;tert-butyl(2-methylpentyl)diazene?
The InChIKey is SJDAZZXCFUFAGH-CALJPSDSSA-N. The full InChI is InChI=1S/C10H22N2.C6H6/c1-6-7-9(2)8-11-12-10(3,4)5;1-2-4-6-5-3-1/h9H,6-8H2,1-5H3;1-6H/b12-11+;.
What are the key properties of benzene;tert-butyl(2-methylpentyl)diazene?
benzene;tert-butyl(2-methylpentyl)diazene has a molecular weight of 248.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tert-butyl(2-methylpentyl)diazene is sourced from PubChem (CID 70406831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).