2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine

C11H15N3 — CID 123900402

IUPAC2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1c(C)ccc(C)c1C
InChIInChI=1S/C11H15N3/c1-8-4-5-9(2)11(10(8)3)14-13-7-6-12/h4-6,12H,7H2,1-3H3/b12-6+,14-13+
InChIKeyBGSQRYABWUIFCM-ZFNDVPRISA-N
MW189.26 g/mol
LogP3.35
Rot. Bonds3

About 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine

2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine (PubChem CID 123900402) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine.

Molecular Properties

Compound Name2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine
PubChem CID123900402
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1c(C)ccc(C)c1C
InChIInChI=1S/C11H15N3/c1-8-4-5-9(2)11(10(8)3)14-13-7-6-12/h4-6,12H,7H2,1-3H3/b12-6+,14-13+
InChIKeyBGSQRYABWUIFCM-ZFNDVPRISA-N
XLogP3.35
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.35
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine?
The IUPAC name of 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine (CID 123900402) is 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine.
What is the SMILES notation for 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine?
The canonical SMILES for 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine is [H]/N=C/C/N=N/c1c(C)ccc(C)c1C.
What is the InChIKey of 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine?
The InChIKey is BGSQRYABWUIFCM-ZFNDVPRISA-N. The full InChI is InChI=1S/C11H15N3/c1-8-4-5-9(2)11(10(8)3)14-13-7-6-12/h4-6,12H,7H2,1-3H3/b12-6+,14-13+.
What are the key properties of 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine?
2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine has a molecular weight of 189.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine is sourced from PubChem (CID 123900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).