3-ethyl-N-methyl-1,3-oxazolidin-2-imine

C6H12N2O — CID 89200308

IUPAC3-ethyl-N-methyl-1,3-oxazolidin-2-imine
SMILESCCN1CCO/C1=N\C
InChIInChI=1S/C6H12N2O/c1-3-8-4-5-9-6(8)7-2/h3-5H2,1-2H3/b7-6-
InChIKeySOBUOULIHKTPEU-SREVYHEPSA-N
MW128.17 g/mol
LogP0.32
Rot. Bonds1

About 3-ethyl-N-methyl-1,3-oxazolidin-2-imine

3-ethyl-N-methyl-1,3-oxazolidin-2-imine (PubChem CID 89200308) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1,3-oxazolidin-2-imine
PubChem CID89200308
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-ethyl-N-methyl-1,3-oxazolidin-2-imine
SMILESCCN1CCO/C1=N\C
InChIInChI=1S/C6H12N2O/c1-3-8-4-5-9-6(8)7-2/h3-5H2,1-2H3/b7-6-
InChIKeySOBUOULIHKTPEU-SREVYHEPSA-N
XLogP0.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethyl-N-methyl-1,3-oxazolidin-2-imine?
The IUPAC name of 3-ethyl-N-methyl-1,3-oxazolidin-2-imine (CID 89200308) is 3-ethyl-N-methyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for 3-ethyl-N-methyl-1,3-oxazolidin-2-imine?
The canonical SMILES for 3-ethyl-N-methyl-1,3-oxazolidin-2-imine is CCN1CCO/C1=N\C.
What is the InChIKey of 3-ethyl-N-methyl-1,3-oxazolidin-2-imine?
The InChIKey is SOBUOULIHKTPEU-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-8-4-5-9-6(8)7-2/h3-5H2,1-2H3/b7-6-.
What are the key properties of 3-ethyl-N-methyl-1,3-oxazolidin-2-imine?
3-ethyl-N-methyl-1,3-oxazolidin-2-imine has a molecular weight of 128.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 89200308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).