4-azido-N,N-dimethylaniline

C8H10N4 — CID 584035

IUPAC4-azido-N,N-dimethylaniline
SMILESCN(C)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C8H10N4/c1-12(2)8-5-3-7(4-6-8)10-11-9/h3-6H,1-2H3
InChIKeyBKQJWJKRVJLLFK-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.69
Rot. Bonds2

About 4-azido-N,N-dimethylaniline

4-azido-N,N-dimethylaniline (PubChem CID 584035) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-azido-N,N-dimethylaniline.

Molecular Properties

Compound Name4-azido-N,N-dimethylaniline
PubChem CID584035
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4-azido-N,N-dimethylaniline
SMILESCN(C)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C8H10N4/c1-12(2)8-5-3-7(4-6-8)10-11-9/h3-6H,1-2H3
InChIKeyBKQJWJKRVJLLFK-UHFFFAOYSA-N
XLogP2.69
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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4-[2-(4-azidophenyl)ethynyl]-N-[4-[2-(4-azidophenyl)ethynyl]phenyl]-N-[4-(4-azidophenyl)phenyl]aniline
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4-[(1R)-1-azidoethyl]-N,N-dimethylaniline
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CID 167598671
4-azido-N-ethyl-N-methylbenzamide
CID 150089874
N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
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4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-azido-N,N-dimethylaniline?
The IUPAC name of 4-azido-N,N-dimethylaniline (CID 584035) is 4-azido-N,N-dimethylaniline.
What is the SMILES notation for 4-azido-N,N-dimethylaniline?
The canonical SMILES for 4-azido-N,N-dimethylaniline is CN(C)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N,N-dimethylaniline?
The InChIKey is BKQJWJKRVJLLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12(2)8-5-3-7(4-6-8)10-11-9/h3-6H,1-2H3.
What are the key properties of 4-azido-N,N-dimethylaniline?
4-azido-N,N-dimethylaniline has a molecular weight of 162.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N,N-dimethylaniline is sourced from PubChem (CID 584035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).