3,6-dimethyl-1,3-oxazinane

C6H13NO — CID 539087

IUPAC3,6-dimethyl-1,3-oxazinane
SMILESCC1CCN(C)CO1
InChIInChI=1S/C6H13NO/c1-6-3-4-7(2)5-8-6/h6H,3-5H2,1-2H3
InChIKeyCKQHWFOKYNIUDY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.68
Rot. Bonds

About 3,6-dimethyl-1,3-oxazinane

3,6-dimethyl-1,3-oxazinane (PubChem CID 539087) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3,6-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name3,6-dimethyl-1,3-oxazinane
PubChem CID539087
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3,6-dimethyl-1,3-oxazinane
SMILESCC1CCN(C)CO1
InChIInChI=1S/C6H13NO/c1-6-3-4-7(2)5-8-6/h6H,3-5H2,1-2H3
InChIKeyCKQHWFOKYNIUDY-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,3-oxazinane?
The IUPAC name of 3,6-dimethyl-1,3-oxazinane (CID 539087) is 3,6-dimethyl-1,3-oxazinane.
What is the SMILES notation for 3,6-dimethyl-1,3-oxazinane?
The canonical SMILES for 3,6-dimethyl-1,3-oxazinane is CC1CCN(C)CO1.
What is the InChIKey of 3,6-dimethyl-1,3-oxazinane?
The InChIKey is CKQHWFOKYNIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-3-4-7(2)5-8-6/h6H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-1,3-oxazinane?
3,6-dimethyl-1,3-oxazinane has a molecular weight of 115.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,3-oxazinane is sourced from PubChem (CID 539087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).