2-(butyldiazenyl)pentanedinitrile

C9H14N4 — CID 174258490

IUPAC2-(butyldiazenyl)pentanedinitrile
SMILESCCCC/N=N/C(C#N)CCC#N
InChIInChI=1S/C9H14N4/c1-2-3-7-12-13-9(8-11)5-4-6-10/h9H,2-5,7H2,1H3/b13-12+
InChIKeyJVHGRYXPTOUOIC-OUKQBFOZSA-N
MW178.24 g/mol
LogP2.43
Rot. Bonds6

About 2-(butyldiazenyl)pentanedinitrile

2-(butyldiazenyl)pentanedinitrile (PubChem CID 174258490) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(butyldiazenyl)pentanedinitrile.

Molecular Properties

Compound Name2-(butyldiazenyl)pentanedinitrile
PubChem CID174258490
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(butyldiazenyl)pentanedinitrile
SMILESCCCC/N=N/C(C#N)CCC#N
InChIInChI=1S/C9H14N4/c1-2-3-7-12-13-9(8-11)5-4-6-10/h9H,2-5,7H2,1H3/b13-12+
InChIKeyJVHGRYXPTOUOIC-OUKQBFOZSA-N
XLogP2.43
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.43
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 2-(butyldiazenyl)pentanedinitrile?
The IUPAC name of 2-(butyldiazenyl)pentanedinitrile (CID 174258490) is 2-(butyldiazenyl)pentanedinitrile.
What is the SMILES notation for 2-(butyldiazenyl)pentanedinitrile?
The canonical SMILES for 2-(butyldiazenyl)pentanedinitrile is CCCC/N=N/C(C#N)CCC#N.
What is the InChIKey of 2-(butyldiazenyl)pentanedinitrile?
The InChIKey is JVHGRYXPTOUOIC-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-3-7-12-13-9(8-11)5-4-6-10/h9H,2-5,7H2,1H3/b13-12+.
What are the key properties of 2-(butyldiazenyl)pentanedinitrile?
2-(butyldiazenyl)pentanedinitrile has a molecular weight of 178.24 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butyldiazenyl)pentanedinitrile is sourced from PubChem (CID 174258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).