4-(1-cyanohexan-3-yldiazenyl)heptanenitrile

C14H24N4 — CID 87353167

IUPAC4-(1-cyanohexan-3-yldiazenyl)heptanenitrile
SMILESCCCC(CCC#N)/N=N/C(CCC)CCC#N
InChIInChI=1S/C14H24N4/c1-3-7-13(9-5-11-15)17-18-14(8-4-2)10-6-12-16/h13-14H,3-10H2,1-2H3/b18-17+
InChIKeyHRJGNTCVCWZZAX-ISLYRVAYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds10

About 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile

4-(1-cyanohexan-3-yldiazenyl)heptanenitrile (PubChem CID 87353167) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile.

Molecular Properties

Compound Name4-(1-cyanohexan-3-yldiazenyl)heptanenitrile
PubChem CID87353167
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(1-cyanohexan-3-yldiazenyl)heptanenitrile
SMILESCCCC(CCC#N)/N=N/C(CCC)CCC#N
InChIInChI=1S/C14H24N4/c1-3-7-13(9-5-11-15)17-18-14(8-4-2)10-6-12-16/h13-14H,3-10H2,1-2H3/b18-17+
InChIKeyHRJGNTCVCWZZAX-ISLYRVAYSA-N
XLogP4.38
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-tert-Butyldiazenyl]heptanedinitrile
CID 13706749
Pentanenitrile, 2,2'-azobis-
CID 11644070
4-(4-Cyanobutan-2-yldiazenyl)pentanenitrile
CID 13725336
2-(1-Cyanopentyldiazenyl)hexanenitrile
CID 15014955
4-Azidopentanonitrile
CID 20505518
2-(1-Cyanohexyldiazenyl)heptanenitrile
CID 22227493
5-(6-Cyanohexan-3-yldiazenyl)heptanenitrile
CID 23505058
7-(6-Cyanohexyldiazenyl)heptanenitrile
CID 54478345
2-(1-Cyanoheptyldiazenyl)octanenitrile
CID 57173501
2-Azidopentanenitrile
CID 85658966
2-(1-Cyanononyldiazenyl)decanenitrile
CID 87831226
3-(1-Cyanobutan-2-yldiazenyl)pentanenitrile
CID 141072782

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile?
The IUPAC name of 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile (CID 87353167) is 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile.
What is the SMILES notation for 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile?
The canonical SMILES for 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile is CCCC(CCC#N)/N=N/C(CCC)CCC#N.
What is the InChIKey of 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile?
The InChIKey is HRJGNTCVCWZZAX-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-13(9-5-11-15)17-18-14(8-4-2)10-6-12-16/h13-14H,3-10H2,1-2H3/b18-17+.
What are the key properties of 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile?
4-(1-cyanohexan-3-yldiazenyl)heptanenitrile has a molecular weight of 248.37 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanohexan-3-yldiazenyl)heptanenitrile is sourced from PubChem (CID 87353167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).