2,3,6-trimethyl-1,3-oxazinane

C7H15NO — CID 575121

IUPAC2,3,6-trimethyl-1,3-oxazinane
SMILESCC1CCN(C)C(C)O1
InChIInChI=1S/C7H15NO/c1-6-4-5-8(3)7(2)9-6/h6-7H,4-5H2,1-3H3
InChIKeyFOUCKPOQIHJBLQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.07
Rot. Bonds

About 2,3,6-trimethyl-1,3-oxazinane

2,3,6-trimethyl-1,3-oxazinane (PubChem CID 575121) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,3,6-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2,3,6-trimethyl-1,3-oxazinane
PubChem CID575121
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,3,6-trimethyl-1,3-oxazinane
SMILESCC1CCN(C)C(C)O1
InChIInChI=1S/C7H15NO/c1-6-4-5-8(3)7(2)9-6/h6-7H,4-5H2,1-3H3
InChIKeyFOUCKPOQIHJBLQ-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-1,3-oxazinane?
The IUPAC name of 2,3,6-trimethyl-1,3-oxazinane (CID 575121) is 2,3,6-trimethyl-1,3-oxazinane.
What is the SMILES notation for 2,3,6-trimethyl-1,3-oxazinane?
The canonical SMILES for 2,3,6-trimethyl-1,3-oxazinane is CC1CCN(C)C(C)O1.
What is the InChIKey of 2,3,6-trimethyl-1,3-oxazinane?
The InChIKey is FOUCKPOQIHJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-5-8(3)7(2)9-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-1,3-oxazinane?
2,3,6-trimethyl-1,3-oxazinane has a molecular weight of 129.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-1,3-oxazinane is sourced from PubChem (CID 575121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).