2-(butyldiazenyl)hexanedinitrile

C10H16N4 — CID 174614031

IUPAC2-(butyldiazenyl)hexanedinitrile
SMILESCCCC/N=N/C(C#N)CCCC#N
InChIInChI=1S/C10H16N4/c1-2-3-8-13-14-10(9-12)6-4-5-7-11/h10H,2-6,8H2,1H3/b14-13+
InChIKeyXUPPFVNVIICXIP-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.82
Rot. Bonds7

About 2-(butyldiazenyl)hexanedinitrile

2-(butyldiazenyl)hexanedinitrile (PubChem CID 174614031) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(butyldiazenyl)hexanedinitrile.

Molecular Properties

Compound Name2-(butyldiazenyl)hexanedinitrile
PubChem CID174614031
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(butyldiazenyl)hexanedinitrile
SMILESCCCC/N=N/C(C#N)CCCC#N
InChIInChI=1S/C10H16N4/c1-2-3-8-13-14-10(9-12)6-4-5-7-11/h10H,2-6,8H2,1H3/b14-13+
InChIKeyXUPPFVNVIICXIP-BUHFOSPRSA-N
XLogP2.82
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': '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)hexanedinitrile?
The IUPAC name of 2-(butyldiazenyl)hexanedinitrile (CID 174614031) is 2-(butyldiazenyl)hexanedinitrile.
What is the SMILES notation for 2-(butyldiazenyl)hexanedinitrile?
The canonical SMILES for 2-(butyldiazenyl)hexanedinitrile is CCCC/N=N/C(C#N)CCCC#N.
What is the InChIKey of 2-(butyldiazenyl)hexanedinitrile?
The InChIKey is XUPPFVNVIICXIP-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-3-8-13-14-10(9-12)6-4-5-7-11/h10H,2-6,8H2,1H3/b14-13+.
What are the key properties of 2-(butyldiazenyl)hexanedinitrile?
2-(butyldiazenyl)hexanedinitrile has a molecular weight of 192.27 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butyldiazenyl)hexanedinitrile is sourced from PubChem (CID 174614031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).