2-(2-cyanobutan-2-yldiazenyl)pentanenitrile

C10H16N4 — CID 139813830

IUPAC2-(2-cyanobutan-2-yldiazenyl)pentanenitrile
SMILESCCCC(C#N)/N=N/C(C)(C#N)CC
InChIInChI=1S/C10H16N4/c1-4-6-9(7-11)13-14-10(3,5-2)8-12/h9H,4-6H2,1-3H3/b14-13+
InChIKeyVMGCAMCDQKOSKB-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile

2-(2-cyanobutan-2-yldiazenyl)pentanenitrile (PubChem CID 139813830) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile.

Molecular Properties

Compound Name2-(2-cyanobutan-2-yldiazenyl)pentanenitrile
PubChem CID139813830
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(2-cyanobutan-2-yldiazenyl)pentanenitrile
SMILESCCCC(C#N)/N=N/C(C)(C#N)CC
InChIInChI=1S/C10H16N4/c1-4-6-9(7-11)13-14-10(3,5-2)8-12/h9H,4-6H2,1-3H3/b14-13+
InChIKeyVMGCAMCDQKOSKB-BUHFOSPRSA-N
XLogP2.82
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile?
The IUPAC name of 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile (CID 139813830) is 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile.
What is the SMILES notation for 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile?
The canonical SMILES for 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile is CCCC(C#N)/N=N/C(C)(C#N)CC.
What is the InChIKey of 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile?
The InChIKey is VMGCAMCDQKOSKB-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-6-9(7-11)13-14-10(3,5-2)8-12/h9H,4-6H2,1-3H3/b14-13+.
What are the key properties of 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile?
2-(2-cyanobutan-2-yldiazenyl)pentanenitrile has a molecular weight of 192.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanobutan-2-yldiazenyl)pentanenitrile is sourced from PubChem (CID 139813830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).