(2,6-diethylphenyl)methanimine

C11H15N — CID 21277875

IUPAC(2,6-diethylphenyl)methanimine
SMILES[H]/N=C/c1c(CC)cccc1CC
InChIInChI=1S/C11H15N/c1-3-9-6-5-7-10(4-2)11(9)8-12/h5-8,12H,3-4H2,1-2H3/b12-8+
InChIKeyBYGLLPDOXZLTFA-XYOKQWHBSA-N
MW161.25 g/mol
LogP2.81
Rot. Bonds3

About (2,6-diethylphenyl)methanimine

(2,6-diethylphenyl)methanimine (PubChem CID 21277875) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2,6-diethylphenyl)methanimine.

Molecular Properties

Compound Name(2,6-diethylphenyl)methanimine
PubChem CID21277875
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2,6-diethylphenyl)methanimine
SMILES[H]/N=C/c1c(CC)cccc1CC
InChIInChI=1S/C11H15N/c1-3-9-6-5-7-10(4-2)11(9)8-12/h5-8,12H,3-4H2,1-2H3/b12-8+
InChIKeyBYGLLPDOXZLTFA-XYOKQWHBSA-N
XLogP2.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
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 (2,6-diethylphenyl)methanimine?
The IUPAC name of (2,6-diethylphenyl)methanimine (CID 21277875) is (2,6-diethylphenyl)methanimine.
What is the SMILES notation for (2,6-diethylphenyl)methanimine?
The canonical SMILES for (2,6-diethylphenyl)methanimine is [H]/N=C/c1c(CC)cccc1CC.
What is the InChIKey of (2,6-diethylphenyl)methanimine?
The InChIKey is BYGLLPDOXZLTFA-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-6-5-7-10(4-2)11(9)8-12/h5-8,12H,3-4H2,1-2H3/b12-8+.
What are the key properties of (2,6-diethylphenyl)methanimine?
(2,6-diethylphenyl)methanimine has a molecular weight of 161.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl)methanimine is sourced from PubChem (CID 21277875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).