Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-

C11H18N4 — CID 18913437

IUPAC2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)N=NC(C)(CC)C#N
InChIInChI=1S/C11H18N4/c1-5-7-11(4,9-13)15-14-10(3,6-2)8-12/h5-7H2,1-4H3
InChIKeySJLBDNZUZIGHNK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.70
Rot. Bonds5

About Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-

Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl- (PubChem CID 18913437) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile.

Molecular Properties

Compound NamePentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-
PubChem CID18913437
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)N=NC(C)(CC)C#N
InChIInChI=1S/C11H18N4/c1-5-7-11(4,9-13)15-14-10(3,6-2)8-12/h5-7H2,1-4H3
InChIKeySJLBDNZUZIGHNK-UHFFFAOYSA-N
XLogP2.70
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity329

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.70
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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Related Compounds

2,2'-Azobis(2-methylbutyronitrile)
CID 93079
Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-
CID 206038
Heptanenitrile, 2,2'-azobis[2-methyl-
CID 6453657
Heptanenitrile, 2-[2-(1-cyano-1-methylbutyl)diazenyl]-2-methyl-
CID 6453658
Heptanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-
CID 6453665
2-(tert-Butylazo)-2-butanenitrile
CID 103609
Pentanenitrile, 2-[2-(1,1-dimethylethyl)diazenyl]-2,4-dimethyl-
CID 91931
Pentanenitrile, 2-[(1-cyano-3-methylbutyl)azo]-2-methyl-
CID 85850
2,2'-Azobis(2,4-dimethylvaleronitrile)
CID 91537
2,2'-Azobis(2,4-dimethylvaleronitril)
CID 13955041
2,2'-[(E)-Diazenediyl]bis(2,4,4-trimethylpentanenitrile)
CID 22149489
2,2'-Azobis-(2-ethylbutanonitrile)
CID 22218883

Frequently Asked Questions

What is the IUPAC name of Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-?
The IUPAC name of Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl- (CID 18913437) is 2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile.
What is the SMILES notation for Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-?
The canonical SMILES for Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl- is CCCC(C)(C#N)N=NC(C)(CC)C#N.
What is the InChIKey of Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-?
The InChIKey is SJLBDNZUZIGHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-7-11(4,9-13)15-14-10(3,6-2)8-12/h5-7H2,1-4H3.
What are the key properties of Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl-?
Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl- has a molecular weight of 206.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pentanenitrile, 2-[2-(1-cyano-1-methylpropyl)diazenyl]-2-methyl- is sourced from PubChem (CID 18913437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).