butyl(ethyl)diazene

C6H14N2 — CID 526058

IUPACbutyl(ethyl)diazene
SMILESCCCC/N=N/CC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyKUKOCELBCPFDKL-BQYQJAHWSA-N
MW114.19 g/mol
LogP2.26
Rot. Bonds4

About butyl(ethyl)diazene

butyl(ethyl)diazene (PubChem CID 526058) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is butyl(ethyl)diazene.

Molecular Properties

Compound Namebutyl(ethyl)diazene
PubChem CID526058
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namebutyl(ethyl)diazene
SMILESCCCC/N=N/CC
InChIInChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyKUKOCELBCPFDKL-BQYQJAHWSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.26
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(ethyl)diazene?
The IUPAC name of butyl(ethyl)diazene (CID 526058) is butyl(ethyl)diazene.
What is the SMILES notation for butyl(ethyl)diazene?
The canonical SMILES for butyl(ethyl)diazene is CCCC/N=N/CC.
What is the InChIKey of butyl(ethyl)diazene?
The InChIKey is KUKOCELBCPFDKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3/b8-7+.
What are the key properties of butyl(ethyl)diazene?
butyl(ethyl)diazene has a molecular weight of 114.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(ethyl)diazene is sourced from PubChem (CID 526058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).