2-methyl-4-(2-methylpropyldiazenyl)butanenitrile

C9H17N3 — CID 88632404

IUPAC2-methyl-4-(2-methylpropyldiazenyl)butanenitrile
SMILESCC(C)C/N=N/CCC(C)C#N
InChIInChI=1S/C9H17N3/c1-8(2)7-12-11-5-4-9(3)6-10/h8-9H,4-5,7H2,1-3H3/b12-11+
InChIKeyLJVHVIJFRQDJQQ-VAWYXSNFSA-N
MW167.26 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile

2-methyl-4-(2-methylpropyldiazenyl)butanenitrile (PubChem CID 88632404) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyldiazenyl)butanenitrile
PubChem CID88632404
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-4-(2-methylpropyldiazenyl)butanenitrile
SMILESCC(C)C/N=N/CCC(C)C#N
InChIInChI=1S/C9H17N3/c1-8(2)7-12-11-5-4-9(3)6-10/h8-9H,4-5,7H2,1-3H3/b12-11+
InChIKeyLJVHVIJFRQDJQQ-VAWYXSNFSA-N
XLogP2.64
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.64
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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Related Compounds

Butanenitrile, 2,2'-azobis[3-methyl-
CID 11240960
4-(3-Cyanobutyldiazenyl)-2-methylbutanenitrile
CID 9813010
5-[(4-Cyano-2-methylpentyl)diazenyl]-2,4-dimethylpentanenitrile
CID 13709798
2-(Butyldiazenyl)-2-methylbutanenitrile
CID 14647200
4-[(3-Cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
CID 15685550
2-[(2,3-Dicyanopropyldiazenyl)methyl]butanedinitrile
CID 17802600
2-[[(2-Cyano-2-methylbutyl)diazenyl]methyl]-2-methylbutanenitrile
CID 19013999
3-(Butyldiazenyl)-2-methylpropanenitrile
CID 19710481
4-[(3-Cyano-2,3-dimethylbutyl)diazenyl]-2,2,3-trimethylbutanenitrile
CID 20028044
2-(Tert-butyldiazenyl)-3-methylbutanenitrile
CID 20211405
Butanenitrile;3-(2-cyanopropyldiazenyl)-2-methylpropanenitrile
CID 20452269
2-[3-(Butyldiazenyl)propyl]propanedinitrile
CID 20528008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile?
The IUPAC name of 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile (CID 88632404) is 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile.
What is the SMILES notation for 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile?
The canonical SMILES for 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile is CC(C)C/N=N/CCC(C)C#N.
What is the InChIKey of 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile?
The InChIKey is LJVHVIJFRQDJQQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)7-12-11-5-4-9(3)6-10/h8-9H,4-5,7H2,1-3H3/b12-11+.
What are the key properties of 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile?
2-methyl-4-(2-methylpropyldiazenyl)butanenitrile has a molecular weight of 167.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyldiazenyl)butanenitrile is sourced from PubChem (CID 88632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).