2-(diazenylmethyl)-N,N-dimethylaniline

C9H13N3 — CID 57112857

IUPAC2-(diazenylmethyl)-N,N-dimethylaniline
SMILES[H]/N=N/Cc1ccccc1N(C)C
InChIInChI=1S/C9H13N3/c1-12(2)9-6-4-3-5-8(9)7-11-10/h3-6,10H,7H2,1-2H3/b11-10+
InChIKeyOFJXXRWTPLUJFD-ZHACJKMWSA-N
MW163.22 g/mol
LogP2.28
Rot. Bonds3

About 2-(diazenylmethyl)-N,N-dimethylaniline

2-(diazenylmethyl)-N,N-dimethylaniline (PubChem CID 57112857) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(diazenylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(diazenylmethyl)-N,N-dimethylaniline
PubChem CID57112857
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(diazenylmethyl)-N,N-dimethylaniline
SMILES[H]/N=N/Cc1ccccc1N(C)C
InChIInChI=1S/C9H13N3/c1-12(2)9-6-4-3-5-8(9)7-11-10/h3-6,10H,7H2,1-2H3/b11-10+
InChIKeyOFJXXRWTPLUJFD-ZHACJKMWSA-N
XLogP2.28
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diazenylmethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(diazenylmethyl)-N,N-dimethylaniline (CID 57112857) is 2-(diazenylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(diazenylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(diazenylmethyl)-N,N-dimethylaniline is [H]/N=N/Cc1ccccc1N(C)C.
What is the InChIKey of 2-(diazenylmethyl)-N,N-dimethylaniline?
The InChIKey is OFJXXRWTPLUJFD-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H13N3/c1-12(2)9-6-4-3-5-8(9)7-11-10/h3-6,10H,7H2,1-2H3/b11-10+.
What are the key properties of 2-(diazenylmethyl)-N,N-dimethylaniline?
2-(diazenylmethyl)-N,N-dimethylaniline has a molecular weight of 163.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazenylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 57112857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).