6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine

C8H15NO — CID 89041213

IUPAC6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCC1=C(C(C)C)NCCO1
InChIInChI=1S/C8H15NO/c1-6(2)8-7(3)10-5-4-9-8/h6,9H,4-5H2,1-3H3
InChIKeyOCHUGKAFISDSCN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.49
Rot. Bonds1

About 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine

6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 89041213) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
PubChem CID89041213
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCC1=C(C(C)C)NCCO1
InChIInChI=1S/C8H15NO/c1-6(2)8-7(3)10-5-4-9-8/h6,9H,4-5H2,1-3H3
InChIKeyOCHUGKAFISDSCN-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine (CID 89041213) is 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine is CC1=C(C(C)C)NCCO1.
What is the InChIKey of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is OCHUGKAFISDSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8-7(3)10-5-4-9-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 141.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 89041213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).