5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine

C13H23NO — CID 166865323

IUPAC5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESCCC1=C(/C=C(\CC)C(C)C)OCCN1
InChIInChI=1S/C13H23NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h9-10,14H,5-8H2,1-4H3/b11-9+
InChIKeyXLLSCLAZUADUBL-PKNBQFBNSA-N
MW209.33 g/mol
LogP3.22
Rot. Bonds4

About 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine

5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 166865323) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID166865323
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESCCC1=C(/C=C(\CC)C(C)C)OCCN1
InChIInChI=1S/C13H23NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h9-10,14H,5-8H2,1-4H3/b11-9+
InChIKeyXLLSCLAZUADUBL-PKNBQFBNSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine (CID 166865323) is 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine is CCC1=C(/C=C(\CC)C(C)C)OCCN1.
What is the InChIKey of 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is XLLSCLAZUADUBL-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h9-10,14H,5-8H2,1-4H3/b11-9+.
What are the key properties of 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 209.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(E)-2-ethyl-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 166865323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).