2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile

C8H15N3O — CID 21429800

IUPAC2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
SMILESCOC(C)(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C8H15N3O/c1-7(2,6-9)10-11-8(3,4)12-5/h1-5H3/b11-10+
InChIKeyRKILGGIWTMTZDG-ZHACJKMWSA-N
MW169.23 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile

2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile (PubChem CID 21429800) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
PubChem CID21429800
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
SMILESCOC(C)(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C8H15N3O/c1-7(2,6-9)10-11-8(3,4)12-5/h1-5H3/b11-10+
InChIKeyRKILGGIWTMTZDG-ZHACJKMWSA-N
XLogP2.12
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile (CID 21429800) is 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile is COC(C)(C)/N=N/C(C)(C)C#N.
What is the InChIKey of 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile?
The InChIKey is RKILGGIWTMTZDG-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2,6-9)10-11-8(3,4)12-5/h1-5H3/b11-10+.
What are the key properties of 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile?
2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile has a molecular weight of 169.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile is sourced from PubChem (CID 21429800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).