6-(5-cyanopentyldiazenyl)hexanenitrile

C12H20N4 — CID 54180537

IUPAC6-(5-cyanopentyldiazenyl)hexanenitrile
SMILESN#CCCCCC/N=N/CCCCCC#N
InChIInChI=1S/C12H20N4/c13-9-5-1-3-7-11-15-16-12-8-4-2-6-10-14/h1-8,11-12H2/b16-15+
InChIKeyPBLWPDQKFGXFIO-FOCLMDBBSA-N
MW220.32 g/mol
LogP3.61
Rot. Bonds10

About 6-(5-cyanopentyldiazenyl)hexanenitrile

6-(5-cyanopentyldiazenyl)hexanenitrile (PubChem CID 54180537) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(5-cyanopentyldiazenyl)hexanenitrile.

Molecular Properties

Compound Name6-(5-cyanopentyldiazenyl)hexanenitrile
PubChem CID54180537
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-(5-cyanopentyldiazenyl)hexanenitrile
SMILESN#CCCCCC/N=N/CCCCCC#N
InChIInChI=1S/C12H20N4/c13-9-5-1-3-7-11-15-16-12-8-4-2-6-10-14/h1-8,11-12H2/b16-15+
InChIKeyPBLWPDQKFGXFIO-FOCLMDBBSA-N
XLogP3.61
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopentyldiazenyl)hexanenitrile?
The IUPAC name of 6-(5-cyanopentyldiazenyl)hexanenitrile (CID 54180537) is 6-(5-cyanopentyldiazenyl)hexanenitrile.
What is the SMILES notation for 6-(5-cyanopentyldiazenyl)hexanenitrile?
The canonical SMILES for 6-(5-cyanopentyldiazenyl)hexanenitrile is N#CCCCCC/N=N/CCCCCC#N.
What is the InChIKey of 6-(5-cyanopentyldiazenyl)hexanenitrile?
The InChIKey is PBLWPDQKFGXFIO-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H20N4/c13-9-5-1-3-7-11-15-16-12-8-4-2-6-10-14/h1-8,11-12H2/b16-15+.
What are the key properties of 6-(5-cyanopentyldiazenyl)hexanenitrile?
6-(5-cyanopentyldiazenyl)hexanenitrile has a molecular weight of 220.32 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopentyldiazenyl)hexanenitrile is sourced from PubChem (CID 54180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).