1-(3,4,5-trimethylphenyl)ethyldiazene

C11H16N2 — CID 89185904

IUPAC1-(3,4,5-trimethylphenyl)ethyldiazene
SMILES[H]/N=N/C(C)c1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H16N2/c1-7-5-11(10(4)13-12)6-8(2)9(7)3/h5-6,10,12H,1-4H3/b13-12+
InChIKeyBAXPDPZPPZGKLR-OUKQBFOZSA-N
MW176.26 g/mol
LogP3.70
Rot. Bonds2

About 1-(3,4,5-trimethylphenyl)ethyldiazene

1-(3,4,5-trimethylphenyl)ethyldiazene (PubChem CID 89185904) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3,4,5-trimethylphenyl)ethyldiazene.

Molecular Properties

Compound Name1-(3,4,5-trimethylphenyl)ethyldiazene
PubChem CID89185904
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(3,4,5-trimethylphenyl)ethyldiazene
SMILES[H]/N=N/C(C)c1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H16N2/c1-7-5-11(10(4)13-12)6-8(2)9(7)3/h5-6,10,12H,1-4H3/b13-12+
InChIKeyBAXPDPZPPZGKLR-OUKQBFOZSA-N
XLogP3.70
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylphenyl)ethyldiazene?
The IUPAC name of 1-(3,4,5-trimethylphenyl)ethyldiazene (CID 89185904) is 1-(3,4,5-trimethylphenyl)ethyldiazene.
What is the SMILES notation for 1-(3,4,5-trimethylphenyl)ethyldiazene?
The canonical SMILES for 1-(3,4,5-trimethylphenyl)ethyldiazene is [H]/N=N/C(C)c1cc(C)c(C)c(C)c1.
What is the InChIKey of 1-(3,4,5-trimethylphenyl)ethyldiazene?
The InChIKey is BAXPDPZPPZGKLR-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-5-11(10(4)13-12)6-8(2)9(7)3/h5-6,10,12H,1-4H3/b13-12+.
What are the key properties of 1-(3,4,5-trimethylphenyl)ethyldiazene?
1-(3,4,5-trimethylphenyl)ethyldiazene has a molecular weight of 176.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylphenyl)ethyldiazene is sourced from PubChem (CID 89185904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).