2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile

C17H33N3 — CID 21387373

IUPAC2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile
SMILESCCCCCCC(CCCCCC)/N=N/C(C)(C)C#N
InChIInChI=1S/C17H33N3/c1-5-7-9-11-13-16(14-12-10-8-6-2)19-20-17(3,4)15-18/h16H,5-14H2,1-4H3/b20-19+
InChIKeyMAVWEPUGKMTMPO-FMQUCBEESA-N
MW279.47 g/mol
LogP6.05
Rot. Bonds12

About 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile

2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile (PubChem CID 21387373) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile
PubChem CID21387373
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile
SMILESCCCCCCC(CCCCCC)/N=N/C(C)(C)C#N
InChIInChI=1S/C17H33N3/c1-5-7-9-11-13-16(14-12-10-8-6-2)19-20-17(3,4)15-18/h16H,5-14H2,1-4H3/b20-19+
InChIKeyMAVWEPUGKMTMPO-FMQUCBEESA-N
XLogP6.05
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 56.05
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-(tridecan-7-yldiazenyl)propanenitrile?
The IUPAC name of 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile (CID 21387373) is 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile is CCCCCCC(CCCCCC)/N=N/C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile?
The InChIKey is MAVWEPUGKMTMPO-FMQUCBEESA-N. The full InChI is InChI=1S/C17H33N3/c1-5-7-9-11-13-16(14-12-10-8-6-2)19-20-17(3,4)15-18/h16H,5-14H2,1-4H3/b20-19+.
What are the key properties of 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile?
2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile has a molecular weight of 279.47 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(tridecan-7-yldiazenyl)propanenitrile is sourced from PubChem (CID 21387373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).