2-[(3-methylphenyl)diazenyl]ethanimine

C9H11N3 — CID 123458164

IUPAC2-[(3-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1cccc(C)c1
InChIInChI=1S/C9H11N3/c1-8-3-2-4-9(7-8)12-11-6-5-10/h2-5,7,10H,6H2,1H3/b10-5+,12-11+
InChIKeyXYAWALQDDDCYNU-WKWSCTOISA-N
MW161.21 g/mol
LogP2.73
Rot. Bonds3

About 2-[(3-methylphenyl)diazenyl]ethanimine

2-[(3-methylphenyl)diazenyl]ethanimine (PubChem CID 123458164) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-[(3-methylphenyl)diazenyl]ethanimine.

Molecular Properties

Compound Name2-[(3-methylphenyl)diazenyl]ethanimine
PubChem CID123458164
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-[(3-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1cccc(C)c1
InChIInChI=1S/C9H11N3/c1-8-3-2-4-9(7-8)12-11-6-5-10/h2-5,7,10H,6H2,1H3/b10-5+,12-11+
InChIKeyXYAWALQDDDCYNU-WKWSCTOISA-N
XLogP2.73
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.73
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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Related Compounds

3-(3-methylphenyl)propan-1-imine
CID 88993030
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
CID 144963776
(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
CID 91451182
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
N'-(3-methylphenyl)methanimidamide
CID 55300494
ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane
CID 125450389
1-isocyanato-3-methylbenzene;hydrate
CID 174282646
2-(hydroxymethyl)-4-[(3-methylphenyl)diazenyl]phenol
CID 136794286
2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
CID 135843564
3-[N-methyl-4-[(3-methylphenyl)diazenyl]anilino]propanenitrile
CID 71442877
N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
CID 151191541

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)diazenyl]ethanimine?
The IUPAC name of 2-[(3-methylphenyl)diazenyl]ethanimine (CID 123458164) is 2-[(3-methylphenyl)diazenyl]ethanimine.
What is the SMILES notation for 2-[(3-methylphenyl)diazenyl]ethanimine?
The canonical SMILES for 2-[(3-methylphenyl)diazenyl]ethanimine is [H]/N=C/C/N=N/c1cccc(C)c1.
What is the InChIKey of 2-[(3-methylphenyl)diazenyl]ethanimine?
The InChIKey is XYAWALQDDDCYNU-WKWSCTOISA-N. The full InChI is InChI=1S/C9H11N3/c1-8-3-2-4-9(7-8)12-11-6-5-10/h2-5,7,10H,6H2,1H3/b10-5+,12-11+.
What are the key properties of 2-[(3-methylphenyl)diazenyl]ethanimine?
2-[(3-methylphenyl)diazenyl]ethanimine has a molecular weight of 161.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)diazenyl]ethanimine is sourced from PubChem (CID 123458164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).