N-(3,5-dimethylphenyl)ethenimine

C10H11N — CID 142882523

IUPACN-(3,5-dimethylphenyl)ethenimine
SMILESC=C=Nc1cc(C)cc(C)c1
InChIInChI=1S/C10H11N/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7H,1H2,2-3H3
InChIKeyAKIJBESNGRMMIR-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.79
Rot. Bonds1

About N-(3,5-dimethylphenyl)ethenimine

N-(3,5-dimethylphenyl)ethenimine (PubChem CID 142882523) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)ethenimine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)ethenimine
PubChem CID142882523
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-(3,5-dimethylphenyl)ethenimine
SMILESC=C=Nc1cc(C)cc(C)c1
InChIInChI=1S/C10H11N/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7H,1H2,2-3H3
InChIKeyAKIJBESNGRMMIR-UHFFFAOYSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)ethenimine?
The IUPAC name of N-(3,5-dimethylphenyl)ethenimine (CID 142882523) is N-(3,5-dimethylphenyl)ethenimine.
What is the SMILES notation for N-(3,5-dimethylphenyl)ethenimine?
The canonical SMILES for N-(3,5-dimethylphenyl)ethenimine is C=C=Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)ethenimine?
The InChIKey is AKIJBESNGRMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7H,1H2,2-3H3.
What are the key properties of N-(3,5-dimethylphenyl)ethenimine?
N-(3,5-dimethylphenyl)ethenimine has a molecular weight of 145.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)ethenimine is sourced from PubChem (CID 142882523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).