2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile

C8H15N3 — CID 57089113

IUPAC2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile
SMILES[H]/N=N/CC(C)(C#N)C(C)(C)C
InChIInChI=1S/C8H15N3/c1-7(2,3)8(4,5-9)6-11-10/h10H,6H2,1-4H3/b11-10+
InChIKeyALOSKYWASFGTGG-ZHACJKMWSA-N
MW153.23 g/mol
LogP2.59
Rot. Bonds2

About 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile

2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile (PubChem CID 57089113) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile.

Molecular Properties

Compound Name2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile
PubChem CID57089113
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile
SMILES[H]/N=N/CC(C)(C#N)C(C)(C)C
InChIInChI=1S/C8H15N3/c1-7(2,3)8(4,5-9)6-11-10/h10H,6H2,1-4H3/b11-10+
InChIKeyALOSKYWASFGTGG-ZHACJKMWSA-N
XLogP2.59
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
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-(diazenylmethyl)-2,3,3-trimethylbutanenitrile?
The IUPAC name of 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile (CID 57089113) is 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile.
What is the SMILES notation for 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile?
The canonical SMILES for 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile is [H]/N=N/CC(C)(C#N)C(C)(C)C.
What is the InChIKey of 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile?
The InChIKey is ALOSKYWASFGTGG-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2,3)8(4,5-9)6-11-10/h10H,6H2,1-4H3/b11-10+.
What are the key properties of 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile?
2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile has a molecular weight of 153.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile is sourced from PubChem (CID 57089113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).