tert-butyl(2,4-dimethyloctan-4-yl)diazene

C14H30N2 — CID 23344799

IUPACtert-butyl(2,4-dimethyloctan-4-yl)diazene
SMILESCCCCC(C)(CC(C)C)/N=N/C(C)(C)C
InChIInChI=1S/C14H30N2/c1-8-9-10-14(7,11-12(2)3)16-15-13(4,5)6/h12H,8-11H2,1-7H3/b16-15+
InChIKeyZZWZSBORECTEKQ-FOCLMDBBSA-N
MW226.41 g/mol
LogP5.23
Rot. Bonds6

About tert-butyl(2,4-dimethyloctan-4-yl)diazene

tert-butyl(2,4-dimethyloctan-4-yl)diazene (PubChem CID 23344799) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is tert-butyl(2,4-dimethyloctan-4-yl)diazene.

Molecular Properties

Compound Nametert-butyl(2,4-dimethyloctan-4-yl)diazene
PubChem CID23344799
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nametert-butyl(2,4-dimethyloctan-4-yl)diazene
SMILESCCCCC(C)(CC(C)C)/N=N/C(C)(C)C
InChIInChI=1S/C14H30N2/c1-8-9-10-14(7,11-12(2)3)16-15-13(4,5)6/h12H,8-11H2,1-7H3/b16-15+
InChIKeyZZWZSBORECTEKQ-FOCLMDBBSA-N
XLogP5.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.23
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 tert-butyl(2,4-dimethyloctan-4-yl)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 tert-butyl(2,4-dimethyloctan-4-yl)diazene?
The IUPAC name of tert-butyl(2,4-dimethyloctan-4-yl)diazene (CID 23344799) is tert-butyl(2,4-dimethyloctan-4-yl)diazene.
What is the SMILES notation for tert-butyl(2,4-dimethyloctan-4-yl)diazene?
The canonical SMILES for tert-butyl(2,4-dimethyloctan-4-yl)diazene is CCCCC(C)(CC(C)C)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(2,4-dimethyloctan-4-yl)diazene?
The InChIKey is ZZWZSBORECTEKQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-9-10-14(7,11-12(2)3)16-15-13(4,5)6/h12H,8-11H2,1-7H3/b16-15+.
What are the key properties of tert-butyl(2,4-dimethyloctan-4-yl)diazene?
tert-butyl(2,4-dimethyloctan-4-yl)diazene has a molecular weight of 226.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2,4-dimethyloctan-4-yl)diazene is sourced from PubChem (CID 23344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).