2-methyl-2-(propan-2-yldiazenyl)propanenitrile

C7H13N3 — CID 21311754

IUPAC2-methyl-2-(propan-2-yldiazenyl)propanenitrile
SMILESCC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C7H13N3/c1-6(2)9-10-7(3,4)5-8/h6H,1-4H3/b10-9+
InChIKeyJXTLAJAJGOQIHR-MDZDMXLPSA-N
MW139.20 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-2-(propan-2-yldiazenyl)propanenitrile

2-methyl-2-(propan-2-yldiazenyl)propanenitrile (PubChem CID 21311754) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-yldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-yldiazenyl)propanenitrile
PubChem CID21311754
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-2-(propan-2-yldiazenyl)propanenitrile
SMILESCC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C7H13N3/c1-6(2)9-10-7(3,4)5-8/h6H,1-4H3/b10-9+
InChIKeyJXTLAJAJGOQIHR-MDZDMXLPSA-N
XLogP2.15
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-(propan-2-yldiazenyl)propanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-yldiazenyl)propanenitrile (CID 21311754) is 2-methyl-2-(propan-2-yldiazenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-yldiazenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-yldiazenyl)propanenitrile is CC(C)/N=N/C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(propan-2-yldiazenyl)propanenitrile?
The InChIKey is JXTLAJAJGOQIHR-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)9-10-7(3,4)5-8/h6H,1-4H3/b10-9+.
What are the key properties of 2-methyl-2-(propan-2-yldiazenyl)propanenitrile?
2-methyl-2-(propan-2-yldiazenyl)propanenitrile has a molecular weight of 139.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-yldiazenyl)propanenitrile is sourced from PubChem (CID 21311754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).