tert-butyl(1-phenylbutan-2-yl)diazene

C14H22N2 — CID 54519373

IUPACtert-butyl(1-phenylbutan-2-yl)diazene
SMILESCCC(Cc1ccccc1)/N=N/C(C)(C)C
InChIInChI=1S/C14H22N2/c1-5-13(15-16-14(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3/b16-15+
InChIKeyYORNSKWYQXJKPZ-FOCLMDBBSA-N
MW218.34 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl(1-phenylbutan-2-yl)diazene

tert-butyl(1-phenylbutan-2-yl)diazene (PubChem CID 54519373) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is tert-butyl(1-phenylbutan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl(1-phenylbutan-2-yl)diazene
PubChem CID54519373
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nametert-butyl(1-phenylbutan-2-yl)diazene
SMILESCCC(Cc1ccccc1)/N=N/C(C)(C)C
InChIInChI=1S/C14H22N2/c1-5-13(15-16-14(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3/b16-15+
InChIKeyYORNSKWYQXJKPZ-FOCLMDBBSA-N
XLogP4.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(1-phenylbutan-2-yl)diazene?
The IUPAC name of tert-butyl(1-phenylbutan-2-yl)diazene (CID 54519373) is tert-butyl(1-phenylbutan-2-yl)diazene.
What is the SMILES notation for tert-butyl(1-phenylbutan-2-yl)diazene?
The canonical SMILES for tert-butyl(1-phenylbutan-2-yl)diazene is CCC(Cc1ccccc1)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(1-phenylbutan-2-yl)diazene?
The InChIKey is YORNSKWYQXJKPZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-13(15-16-14(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3/b16-15+.
What are the key properties of tert-butyl(1-phenylbutan-2-yl)diazene?
tert-butyl(1-phenylbutan-2-yl)diazene has a molecular weight of 218.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(1-phenylbutan-2-yl)diazene is sourced from PubChem (CID 54519373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).