4-[(4-butylphenyl)diazenyl]-N-methylaniline

C17H21N3 — CID 129106039

IUPAC4-[(4-butylphenyl)diazenyl]-N-methylaniline
SMILESCCCCc1ccc(/N=N/c2ccc(NC)cc2)cc1
InChIInChI=1S/C17H21N3/c1-3-4-5-14-6-8-16(9-7-14)19-20-17-12-10-15(18-2)11-13-17/h6-13,18H,3-5H2,1-2H3/b20-19+
InChIKeyAIJMKSZLJBOCCH-FMQUCBEESA-N
MW267.38 g/mol
LogP5.49
Rot. Bonds6

About 4-[(4-butylphenyl)diazenyl]-N-methylaniline

4-[(4-butylphenyl)diazenyl]-N-methylaniline (PubChem CID 129106039) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[(4-butylphenyl)diazenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-butylphenyl)diazenyl]-N-methylaniline
PubChem CID129106039
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[(4-butylphenyl)diazenyl]-N-methylaniline
SMILESCCCCc1ccc(/N=N/c2ccc(NC)cc2)cc1
InChIInChI=1S/C17H21N3/c1-3-4-5-14-6-8-16(9-7-14)19-20-17-12-10-15(18-2)11-13-17/h6-13,18H,3-5H2,1-2H3/b20-19+
InChIKeyAIJMKSZLJBOCCH-FMQUCBEESA-N
XLogP5.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.38
LogP ≤ 55.49
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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Related Compounds

N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
bis(4-decylphenyl)diazene
CID 71359462
but-1-ene;4-butyl-N-methylaniline
CID 142016759
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
3-[4-[(4-decylphenyl)diazenyl]phenyl]propane-1-thiol
CID 101009194
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butylphenyl)diazenyl]-N-methylaniline?
The IUPAC name of 4-[(4-butylphenyl)diazenyl]-N-methylaniline (CID 129106039) is 4-[(4-butylphenyl)diazenyl]-N-methylaniline.
What is the SMILES notation for 4-[(4-butylphenyl)diazenyl]-N-methylaniline?
The canonical SMILES for 4-[(4-butylphenyl)diazenyl]-N-methylaniline is CCCCc1ccc(/N=N/c2ccc(NC)cc2)cc1.
What is the InChIKey of 4-[(4-butylphenyl)diazenyl]-N-methylaniline?
The InChIKey is AIJMKSZLJBOCCH-FMQUCBEESA-N. The full InChI is InChI=1S/C17H21N3/c1-3-4-5-14-6-8-16(9-7-14)19-20-17-12-10-15(18-2)11-13-17/h6-13,18H,3-5H2,1-2H3/b20-19+.
What are the key properties of 4-[(4-butylphenyl)diazenyl]-N-methylaniline?
4-[(4-butylphenyl)diazenyl]-N-methylaniline has a molecular weight of 267.38 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butylphenyl)diazenyl]-N-methylaniline is sourced from PubChem (CID 129106039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).