4-(dimethylaminodiazenyl)aniline

C8H12N4 — CID 71404531

IUPAC4-(dimethylaminodiazenyl)aniline
SMILESCN(C)/N=N/c1ccc(N)cc1
InChIInChI=1S/C8H12N4/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3/b11-10+
InChIKeyOAWOFWQMFFVNDP-ZHACJKMWSA-N
MW164.21 g/mol
LogP1.83
Rot. Bonds2

About 4-(dimethylaminodiazenyl)aniline

4-(dimethylaminodiazenyl)aniline (PubChem CID 71404531) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(dimethylaminodiazenyl)aniline.

Molecular Properties

Compound Name4-(dimethylaminodiazenyl)aniline
PubChem CID71404531
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-(dimethylaminodiazenyl)aniline
SMILESCN(C)/N=N/c1ccc(N)cc1
InChIInChI=1S/C8H12N4/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3/b11-10+
InChIKeyOAWOFWQMFFVNDP-ZHACJKMWSA-N
XLogP1.83
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-(dimethylaminodiazenyl)aniline?
The IUPAC name of 4-(dimethylaminodiazenyl)aniline (CID 71404531) is 4-(dimethylaminodiazenyl)aniline.
What is the SMILES notation for 4-(dimethylaminodiazenyl)aniline?
The canonical SMILES for 4-(dimethylaminodiazenyl)aniline is CN(C)/N=N/c1ccc(N)cc1.
What is the InChIKey of 4-(dimethylaminodiazenyl)aniline?
The InChIKey is OAWOFWQMFFVNDP-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H12N4/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3/b11-10+.
What are the key properties of 4-(dimethylaminodiazenyl)aniline?
4-(dimethylaminodiazenyl)aniline has a molecular weight of 164.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminodiazenyl)aniline is sourced from PubChem (CID 71404531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).