butyl(phenyl)diazene

C10H14N2 — CID 13383403

IUPACbutyl(phenyl)diazene
SMILESCCCC/N=N/c1ccccc1
InChIInChI=1S/C10H14N2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/b12-11+
InChIKeyXFHNPYIYAGBMKC-VAWYXSNFSA-N
MW162.24 g/mol
LogP3.57
Rot. Bonds4

About butyl(phenyl)diazene

butyl(phenyl)diazene (PubChem CID 13383403) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is butyl(phenyl)diazene.

Molecular Properties

Compound Namebutyl(phenyl)diazene
PubChem CID13383403
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Namebutyl(phenyl)diazene
SMILESCCCC/N=N/c1ccccc1
InChIInChI=1S/C10H14N2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/b12-11+
InChIKeyXFHNPYIYAGBMKC-VAWYXSNFSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl(phenyl)diazene?
The IUPAC name of butyl(phenyl)diazene (CID 13383403) is butyl(phenyl)diazene.
What is the SMILES notation for butyl(phenyl)diazene?
The canonical SMILES for butyl(phenyl)diazene is CCCC/N=N/c1ccccc1.
What is the InChIKey of butyl(phenyl)diazene?
The InChIKey is XFHNPYIYAGBMKC-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3/b12-11+.
What are the key properties of butyl(phenyl)diazene?
butyl(phenyl)diazene has a molecular weight of 162.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)diazene is sourced from PubChem (CID 13383403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).