5-(6-cyanohexan-3-yldiazenyl)heptanenitrile

C14H24N4 — CID 23505058

IUPAC5-(6-cyanohexan-3-yldiazenyl)heptanenitrile
SMILESCCC(CCCC#N)/N=N/C(CC)CCCC#N
InChIInChI=1S/C14H24N4/c1-3-13(9-5-7-11-15)17-18-14(4-2)10-6-8-12-16/h13-14H,3-10H2,1-2H3/b18-17+
InChIKeyAEPHIEBXHFPQDI-ISLYRVAYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds10

About 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile

5-(6-cyanohexan-3-yldiazenyl)heptanenitrile (PubChem CID 23505058) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile.

Molecular Properties

Compound Name5-(6-cyanohexan-3-yldiazenyl)heptanenitrile
PubChem CID23505058
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(6-cyanohexan-3-yldiazenyl)heptanenitrile
SMILESCCC(CCCC#N)/N=N/C(CC)CCCC#N
InChIInChI=1S/C14H24N4/c1-3-13(9-5-7-11-15)17-18-14(4-2)10-6-8-12-16/h13-14H,3-10H2,1-2H3/b18-17+
InChIKeyAEPHIEBXHFPQDI-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': '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 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile?
The IUPAC name of 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile (CID 23505058) is 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile.
What is the SMILES notation for 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile?
The canonical SMILES for 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile is CCC(CCCC#N)/N=N/C(CC)CCCC#N.
What is the InChIKey of 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile?
The InChIKey is AEPHIEBXHFPQDI-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-13(9-5-7-11-15)17-18-14(4-2)10-6-8-12-16/h13-14H,3-10H2,1-2H3/b18-17+.
What are the key properties of 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile?
5-(6-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 5-(6-cyanohexan-3-yldiazenyl)heptanenitrile is sourced from PubChem (CID 23505058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).