4-methyl-N-(propyldiazenyl)aniline

C10H15N3 — CID 13017212

IUPAC4-methyl-N-(propyldiazenyl)aniline
SMILESCCC/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C10H15N3/c1-3-8-11-13-12-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyIWQQNPRIJQLWFE-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.18
Rot. Bonds4

About 4-methyl-N-(propyldiazenyl)aniline

4-methyl-N-(propyldiazenyl)aniline (PubChem CID 13017212) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-N-(propyldiazenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(propyldiazenyl)aniline
PubChem CID13017212
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-methyl-N-(propyldiazenyl)aniline
SMILESCCC/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C10H15N3/c1-3-8-11-13-12-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyIWQQNPRIJQLWFE-UHFFFAOYSA-N
XLogP3.18
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.18
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'}

Analyze 4-methyl-N-(propyldiazenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(butyldisulfanyl)ethyldiazenyl]-4-methylaniline
CID 19904678
4-methyl-N-(trideuteriomethyldiazenyl)aniline
CID 87225467
4-methyl-N-[2-[(4-nitrophenyl)disulfanyl]ethyldiazenyl]aniline
CID 19904667
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
N-fluoro-4-(4-methylphenyl)aniline
CID 156821673
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
1-(4-methylphenyl)-2-propylhydrazine
CID 54404539
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
1-amino-3-butyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512548
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
1-methyl-2-(4-methylphenyl)hydrazine;propane
CID 144808247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(propyldiazenyl)aniline?
The IUPAC name of 4-methyl-N-(propyldiazenyl)aniline (CID 13017212) is 4-methyl-N-(propyldiazenyl)aniline.
What is the SMILES notation for 4-methyl-N-(propyldiazenyl)aniline?
The canonical SMILES for 4-methyl-N-(propyldiazenyl)aniline is CCC/N=N/Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(propyldiazenyl)aniline?
The InChIKey is IWQQNPRIJQLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-8-11-13-12-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-(propyldiazenyl)aniline?
4-methyl-N-(propyldiazenyl)aniline has a molecular weight of 177.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(propyldiazenyl)aniline is sourced from PubChem (CID 13017212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).