3,5-dimethyl-1,3-oxazinane

C6H13NO — CID 13277333

IUPAC3,5-dimethyl-1,3-oxazinane
SMILESCC1COCN(C)C1
InChIInChI=1S/C6H13NO/c1-6-3-7(2)5-8-4-6/h6H,3-5H2,1-2H3
InChIKeyRJFSFDWQDQQCGB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds

About 3,5-dimethyl-1,3-oxazinane

3,5-dimethyl-1,3-oxazinane (PubChem CID 13277333) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name3,5-dimethyl-1,3-oxazinane
PubChem CID13277333
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3,5-dimethyl-1,3-oxazinane
SMILESCC1COCN(C)C1
InChIInChI=1S/C6H13NO/c1-6-3-7(2)5-8-4-6/h6H,3-5H2,1-2H3
InChIKeyRJFSFDWQDQQCGB-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-oxazinane?
The IUPAC name of 3,5-dimethyl-1,3-oxazinane (CID 13277333) is 3,5-dimethyl-1,3-oxazinane.
What is the SMILES notation for 3,5-dimethyl-1,3-oxazinane?
The canonical SMILES for 3,5-dimethyl-1,3-oxazinane is CC1COCN(C)C1.
What is the InChIKey of 3,5-dimethyl-1,3-oxazinane?
The InChIKey is RJFSFDWQDQQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-3-7(2)5-8-4-6/h6H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3-oxazinane?
3,5-dimethyl-1,3-oxazinane has a molecular weight of 115.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-oxazinane is sourced from PubChem (CID 13277333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).