4-methyl-N-(trideuteriomethyldiazenyl)aniline

C8H11N3 — CID 87225467

IUPAC4-methyl-N-(trideuteriomethyldiazenyl)aniline
SMILES[2H]C([2H])([2H])/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)/i2D3
InChIKeyDNGJVDGPCGXBFF-BMSJAHLVSA-N
MW152.22 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-N-(trideuteriomethyldiazenyl)aniline

4-methyl-N-(trideuteriomethyldiazenyl)aniline (PubChem CID 87225467) has the molecular formula C8H11N3 and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-methyl-N-(trideuteriomethyldiazenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(trideuteriomethyldiazenyl)aniline
PubChem CID87225467
Molecular FormulaC8H11N3
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name4-methyl-N-(trideuteriomethyldiazenyl)aniline
SMILES[2H]C([2H])([2H])/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)/i2D3
InChIKeyDNGJVDGPCGXBFF-BMSJAHLVSA-N
XLogP2.40
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(trideuteriomethyldiazenyl)aniline?
The IUPAC name of 4-methyl-N-(trideuteriomethyldiazenyl)aniline (CID 87225467) is 4-methyl-N-(trideuteriomethyldiazenyl)aniline.
What is the SMILES notation for 4-methyl-N-(trideuteriomethyldiazenyl)aniline?
The canonical SMILES for 4-methyl-N-(trideuteriomethyldiazenyl)aniline is [2H]C([2H])([2H])/N=N/Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(trideuteriomethyldiazenyl)aniline?
The InChIKey is DNGJVDGPCGXBFF-BMSJAHLVSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)/i2D3.
What are the key properties of 4-methyl-N-(trideuteriomethyldiazenyl)aniline?
4-methyl-N-(trideuteriomethyldiazenyl)aniline has a molecular weight of 152.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(trideuteriomethyldiazenyl)aniline is sourced from PubChem (CID 87225467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).