2-(1-cyanononyldiazenyl)decanenitrile

C20H36N4 — CID 87831226

IUPAC2-(1-cyanononyldiazenyl)decanenitrile
SMILESCCCCCCCCC(C#N)/N=N/C(C#N)CCCCCCCC
InChIInChI=1S/C20H36N4/c1-3-5-7-9-11-13-15-19(17-21)23-24-20(18-22)16-14-12-10-8-6-4-2/h19-20H,3-16H2,1-2H3/b24-23+
InChIKeyAXLIMNGYJBZRAK-WCWDXBQESA-N
MW332.54 g/mol
LogP6.72
Rot. Bonds16

About 2-(1-cyanononyldiazenyl)decanenitrile

2-(1-cyanononyldiazenyl)decanenitrile (PubChem CID 87831226) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-(1-cyanononyldiazenyl)decanenitrile.

Molecular Properties

Compound Name2-(1-cyanononyldiazenyl)decanenitrile
PubChem CID87831226
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name2-(1-cyanononyldiazenyl)decanenitrile
SMILESCCCCCCCCC(C#N)/N=N/C(C#N)CCCCCCCC
InChIInChI=1S/C20H36N4/c1-3-5-7-9-11-13-15-19(17-21)23-24-20(18-22)16-14-12-10-8-6-4-2/h19-20H,3-16H2,1-2H3/b24-23+
InChIKeyAXLIMNGYJBZRAK-WCWDXBQESA-N
XLogP6.72
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 129719130
CID 129719130
CID 15014955
CID 15014955
CID 20559018
CID 20559018
CID 20559045
CID 20559045
CID 21387069
CID 21387069
CID 21387373
CID 21387373
CID 22227493
CID 22227493
CID 23505058
CID 23505058
CID 57173501
CID 57173501
CID 70568230
CID 70568230
CID 87353167
CID 87353167
CID 88433061
CID 88433061

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanononyldiazenyl)decanenitrile?
The IUPAC name of 2-(1-cyanononyldiazenyl)decanenitrile (CID 87831226) is 2-(1-cyanononyldiazenyl)decanenitrile.
What is the SMILES notation for 2-(1-cyanononyldiazenyl)decanenitrile?
The canonical SMILES for 2-(1-cyanononyldiazenyl)decanenitrile is CCCCCCCCC(C#N)/N=N/C(C#N)CCCCCCCC.
What is the InChIKey of 2-(1-cyanononyldiazenyl)decanenitrile?
The InChIKey is AXLIMNGYJBZRAK-WCWDXBQESA-N. The full InChI is InChI=1S/C20H36N4/c1-3-5-7-9-11-13-15-19(17-21)23-24-20(18-22)16-14-12-10-8-6-4-2/h19-20H,3-16H2,1-2H3/b24-23+.
What are the key properties of 2-(1-cyanononyldiazenyl)decanenitrile?
2-(1-cyanononyldiazenyl)decanenitrile has a molecular weight of 332.54 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanononyldiazenyl)decanenitrile is sourced from PubChem (CID 87831226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).