2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile

C10H19N3 — CID 21386979

IUPAC2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile
SMILESCC(C)CC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C10H19N3/c1-8(2)6-9(3)12-13-10(4,5)7-11/h8-9H,6H2,1-5H3/b13-12+
InChIKeyGIMLEOLBYDDCLI-OUKQBFOZSA-N
MW181.28 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile

2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile (PubChem CID 21386979) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile
PubChem CID21386979
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile
SMILESCC(C)CC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C10H19N3/c1-8(2)6-9(3)12-13-10(4,5)7-11/h8-9H,6H2,1-5H3/b13-12+
InChIKeyGIMLEOLBYDDCLI-OUKQBFOZSA-N
XLogP3.18
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.18
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-(4-methylpentan-2-yldiazenyl)propanenitrile?
The IUPAC name of 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile (CID 21386979) is 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile is CC(C)CC(C)/N=N/C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile?
The InChIKey is GIMLEOLBYDDCLI-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)6-9(3)12-13-10(4,5)7-11/h8-9H,6H2,1-5H3/b13-12+.
What are the key properties of 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile?
2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpentan-2-yldiazenyl)propanenitrile is sourced from PubChem (CID 21386979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).