7-(6-cyanohexyldiazenyl)heptanenitrile

C14H24N4 — CID 54478345

IUPAC7-(6-cyanohexyldiazenyl)heptanenitrile
SMILESN#CCCCCCC/N=N/CCCCCCC#N
InChIInChI=1S/C14H24N4/c15-11-7-3-1-5-9-13-17-18-14-10-6-2-4-8-12-16/h1-10,13-14H2/b18-17+
InChIKeyXNEXUGJMALNQBD-ISLYRVAYSA-N
MW248.37 g/mol
LogP4.39
Rot. Bonds12

About 7-(6-cyanohexyldiazenyl)heptanenitrile

7-(6-cyanohexyldiazenyl)heptanenitrile (PubChem CID 54478345) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-(6-cyanohexyldiazenyl)heptanenitrile.

Molecular Properties

Compound Name7-(6-cyanohexyldiazenyl)heptanenitrile
PubChem CID54478345
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name7-(6-cyanohexyldiazenyl)heptanenitrile
SMILESN#CCCCCCC/N=N/CCCCCCC#N
InChIInChI=1S/C14H24N4/c15-11-7-3-1-5-9-13-17-18-14-10-6-2-4-8-12-16/h1-10,13-14H2/b18-17+
InChIKeyXNEXUGJMALNQBD-ISLYRVAYSA-N
XLogP4.39
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.39
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 3289645
CID 3289645
CID 4543668
CID 4543668
CID 21271056
CID 21271056
CID 4005816
CID 4005816
CID 15014955
CID 15014955
CID 22227493
CID 22227493
CID 23505058
CID 23505058
CID 54180537
CID 54180537
CID 87353167
CID 87353167
CID 122498616
CID 122498616
CID 163210902
CID 163210902
CID 174614031
CID 174614031

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyanohexyldiazenyl)heptanenitrile?
The IUPAC name of 7-(6-cyanohexyldiazenyl)heptanenitrile (CID 54478345) is 7-(6-cyanohexyldiazenyl)heptanenitrile.
What is the SMILES notation for 7-(6-cyanohexyldiazenyl)heptanenitrile?
The canonical SMILES for 7-(6-cyanohexyldiazenyl)heptanenitrile is N#CCCCCCC/N=N/CCCCCCC#N.
What is the InChIKey of 7-(6-cyanohexyldiazenyl)heptanenitrile?
The InChIKey is XNEXUGJMALNQBD-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c15-11-7-3-1-5-9-13-17-18-14-10-6-2-4-8-12-16/h1-10,13-14H2/b18-17+.
What are the key properties of 7-(6-cyanohexyldiazenyl)heptanenitrile?
7-(6-cyanohexyldiazenyl)heptanenitrile has a molecular weight of 248.37 g/mol, XLogP of 4.39, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyanohexyldiazenyl)heptanenitrile is sourced from PubChem (CID 54478345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).