2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile

C19H37N3 — CID 21387069

IUPAC2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile
SMILESCCCCCCCCCCCCCC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C19H37N3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(2)21-22-19(3,4)17-20/h18H,5-16H2,1-4H3/b22-21+
InChIKeyUBKKEOTVCYOUKU-QURGRASLSA-N
MW307.53 g/mol
LogP6.83
Rot. Bonds14

About 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile

2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile (PubChem CID 21387069) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile
PubChem CID21387069
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile
SMILESCCCCCCCCCCCCCC(C)/N=N/C(C)(C)C#N
InChIInChI=1S/C19H37N3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(2)21-22-19(3,4)17-20/h18H,5-16H2,1-4H3/b22-21+
InChIKeyUBKKEOTVCYOUKU-QURGRASLSA-N
XLogP6.83
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(pentadecan-2-yldiazenyl)propanenitrile?
The IUPAC name of 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile (CID 21387069) is 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile is CCCCCCCCCCCCCC(C)/N=N/C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile?
The InChIKey is UBKKEOTVCYOUKU-QURGRASLSA-N. The full InChI is InChI=1S/C19H37N3/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(2)21-22-19(3,4)17-20/h18H,5-16H2,1-4H3/b22-21+.
What are the key properties of 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile?
2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile has a molecular weight of 307.53 g/mol, XLogP of 6.83, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentadecan-2-yldiazenyl)propanenitrile is sourced from PubChem (CID 21387069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).