bis(2-methylbutyl)diazene

C10H22N2 — CID 22367845

IUPACbis(2-methylbutyl)diazene
SMILESCCC(C)C/N=N/CC(C)CC
InChIInChI=1S/C10H22N2/c1-5-9(3)7-11-12-8-10(4)6-2/h9-10H,5-8H2,1-4H3/b12-11+
InChIKeyIXRCFVIEKKOISJ-VAWYXSNFSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds6

About bis(2-methylbutyl)diazene

bis(2-methylbutyl)diazene (PubChem CID 22367845) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is bis(2-methylbutyl)diazene.

Molecular Properties

Compound Namebis(2-methylbutyl)diazene
PubChem CID22367845
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namebis(2-methylbutyl)diazene
SMILESCCC(C)C/N=N/CC(C)CC
InChIInChI=1S/C10H22N2/c1-5-9(3)7-11-12-8-10(4)6-2/h9-10H,5-8H2,1-4H3/b12-11+
InChIKeyIXRCFVIEKKOISJ-VAWYXSNFSA-N
XLogP3.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
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-methylbutyl)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-methylbutyl)diazene?
The IUPAC name of bis(2-methylbutyl)diazene (CID 22367845) is bis(2-methylbutyl)diazene.
What is the SMILES notation for bis(2-methylbutyl)diazene?
The canonical SMILES for bis(2-methylbutyl)diazene is CCC(C)C/N=N/CC(C)CC.
What is the InChIKey of bis(2-methylbutyl)diazene?
The InChIKey is IXRCFVIEKKOISJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-9(3)7-11-12-8-10(4)6-2/h9-10H,5-8H2,1-4H3/b12-11+.
What are the key properties of bis(2-methylbutyl)diazene?
bis(2-methylbutyl)diazene has a molecular weight of 170.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutyl)diazene is sourced from PubChem (CID 22367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).