butyl(ethenyl)diazene

C6H12N2 — CID 89391777

IUPACbutyl(ethenyl)diazene
SMILESC=C/N=N/CCCC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4H,2-3,5-6H2,1H3/b8-7+
InChIKeyMTQJOFPCCORXJB-BQYQJAHWSA-N
MW112.18 g/mol
LogP2.38
Rot. Bonds4

About butyl(ethenyl)diazene

butyl(ethenyl)diazene (PubChem CID 89391777) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is butyl(ethenyl)diazene.

Molecular Properties

Compound Namebutyl(ethenyl)diazene
PubChem CID89391777
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namebutyl(ethenyl)diazene
SMILESC=C/N=N/CCCC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4H,2-3,5-6H2,1H3/b8-7+
InChIKeyMTQJOFPCCORXJB-BQYQJAHWSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 52.38
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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Related Compounds

1-(ethenyldiazenyl)tricosan-8-one
CID 142548056
CID 5494236
CID 5494236
butane;pentane;prop-1-ene
CID 144903825
hexane;propane;prop-1-ene
CID 143913803
ethenol;hexane
CID 22706833
N-butylethanimine;ethane
CID 142024896
ethenol;heptadecane
CID 158851930
ethane;prop-1-ene;undecane
CID 171541850
but-1-ene;ethane;pentane
CID 142205498
N-octylprop-2-en-1-imine
CID 174329856
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
(Z)-N-ethenylnon-2-en-4-imine
CID 144801095

Frequently Asked Questions

What is the IUPAC name of butyl(ethenyl)diazene?
The IUPAC name of butyl(ethenyl)diazene (CID 89391777) is butyl(ethenyl)diazene.
What is the SMILES notation for butyl(ethenyl)diazene?
The canonical SMILES for butyl(ethenyl)diazene is C=C/N=N/CCCC.
What is the InChIKey of butyl(ethenyl)diazene?
The InChIKey is MTQJOFPCCORXJB-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4H,2-3,5-6H2,1H3/b8-7+.
What are the key properties of butyl(ethenyl)diazene?
butyl(ethenyl)diazene has a molecular weight of 112.18 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(ethenyl)diazene is sourced from PubChem (CID 89391777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).