2-[3-(butyldiazenyl)propyl]propanedinitrile

C10H16N4 — CID 20528008

IUPAC2-[3-(butyldiazenyl)propyl]propanedinitrile
SMILESCCCC/N=N/CCCC(C#N)C#N
InChIInChI=1S/C10H16N4/c1-2-3-6-13-14-7-4-5-10(8-11)9-12/h10H,2-7H2,1H3/b14-13+
InChIKeyRJENBCMLJLOPPX-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.68
Rot. Bonds7

About 2-[3-(butyldiazenyl)propyl]propanedinitrile

2-[3-(butyldiazenyl)propyl]propanedinitrile (PubChem CID 20528008) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[3-(butyldiazenyl)propyl]propanedinitrile.

Molecular Properties

Compound Name2-[3-(butyldiazenyl)propyl]propanedinitrile
PubChem CID20528008
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[3-(butyldiazenyl)propyl]propanedinitrile
SMILESCCCC/N=N/CCCC(C#N)C#N
InChIInChI=1S/C10H16N4/c1-2-3-6-13-14-7-4-5-10(8-11)9-12/h10H,2-7H2,1H3/b14-13+
InChIKeyRJENBCMLJLOPPX-BUHFOSPRSA-N
XLogP2.68
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 ≤ 52.68
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-[3-(butyldiazenyl)propyl]propanedinitrile?
The IUPAC name of 2-[3-(butyldiazenyl)propyl]propanedinitrile (CID 20528008) is 2-[3-(butyldiazenyl)propyl]propanedinitrile.
What is the SMILES notation for 2-[3-(butyldiazenyl)propyl]propanedinitrile?
The canonical SMILES for 2-[3-(butyldiazenyl)propyl]propanedinitrile is CCCC/N=N/CCCC(C#N)C#N.
What is the InChIKey of 2-[3-(butyldiazenyl)propyl]propanedinitrile?
The InChIKey is RJENBCMLJLOPPX-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-3-6-13-14-7-4-5-10(8-11)9-12/h10H,2-7H2,1H3/b14-13+.
What are the key properties of 2-[3-(butyldiazenyl)propyl]propanedinitrile?
2-[3-(butyldiazenyl)propyl]propanedinitrile has a molecular weight of 192.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butyldiazenyl)propyl]propanedinitrile is sourced from PubChem (CID 20528008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).