N-(3,4,5-trimethylphenyl)ethanimine

C11H15N — CID 129224731

IUPACN-(3,4,5-trimethylphenyl)ethanimine
SMILESC/C=N/c1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H15N/c1-5-12-11-6-8(2)10(4)9(3)7-11/h5-7H,1-4H3/b12-5+
InChIKeyIHPLXKIRGAFCFV-LFYBBSHMSA-N
MW161.25 g/mol
LogP3.33
Rot. Bonds1

About N-(3,4,5-trimethylphenyl)ethanimine

N-(3,4,5-trimethylphenyl)ethanimine (PubChem CID 129224731) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(3,4,5-trimethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(3,4,5-trimethylphenyl)ethanimine
PubChem CID129224731
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(3,4,5-trimethylphenyl)ethanimine
SMILESC/C=N/c1cc(C)c(C)c(C)c1
InChIInChI=1S/C11H15N/c1-5-12-11-6-8(2)10(4)9(3)7-11/h5-7H,1-4H3/b12-5+
InChIKeyIHPLXKIRGAFCFV-LFYBBSHMSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.33
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-(3,4,5-trimethylphenyl)ethanimine?
The IUPAC name of N-(3,4,5-trimethylphenyl)ethanimine (CID 129224731) is N-(3,4,5-trimethylphenyl)ethanimine.
What is the SMILES notation for N-(3,4,5-trimethylphenyl)ethanimine?
The canonical SMILES for N-(3,4,5-trimethylphenyl)ethanimine is C/C=N/c1cc(C)c(C)c(C)c1.
What is the InChIKey of N-(3,4,5-trimethylphenyl)ethanimine?
The InChIKey is IHPLXKIRGAFCFV-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H15N/c1-5-12-11-6-8(2)10(4)9(3)7-11/h5-7H,1-4H3/b12-5+.
What are the key properties of N-(3,4,5-trimethylphenyl)ethanimine?
N-(3,4,5-trimethylphenyl)ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethylphenyl)ethanimine is sourced from PubChem (CID 129224731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).