N-benzyl-2,2-dimethoxyethanimine

C11H15NO2 — CID 46855578

IUPACN-benzyl-2,2-dimethoxyethanimine
SMILESCOC(/C=N/Cc1ccccc1)OC
InChIInChI=1S/C11H15NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/b12-9+
InChIKeyYFPYRKRKLJKZPA-FMIVXFBMSA-N
MW193.25 g/mol
LogP1.88
Rot. Bonds5

About N-benzyl-2,2-dimethoxyethanimine

N-benzyl-2,2-dimethoxyethanimine (PubChem CID 46855578) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-benzyl-2,2-dimethoxyethanimine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethoxyethanimine
PubChem CID46855578
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-benzyl-2,2-dimethoxyethanimine
SMILESCOC(/C=N/Cc1ccccc1)OC
InChIInChI=1S/C11H15NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/b12-9+
InChIKeyYFPYRKRKLJKZPA-FMIVXFBMSA-N
XLogP1.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethoxyethanimine?
The IUPAC name of N-benzyl-2,2-dimethoxyethanimine (CID 46855578) is N-benzyl-2,2-dimethoxyethanimine.
What is the SMILES notation for N-benzyl-2,2-dimethoxyethanimine?
The canonical SMILES for N-benzyl-2,2-dimethoxyethanimine is COC(/C=N/Cc1ccccc1)OC.
What is the InChIKey of N-benzyl-2,2-dimethoxyethanimine?
The InChIKey is YFPYRKRKLJKZPA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/b12-9+.
What are the key properties of N-benzyl-2,2-dimethoxyethanimine?
N-benzyl-2,2-dimethoxyethanimine has a molecular weight of 193.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethoxyethanimine is sourced from PubChem (CID 46855578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).