3,5-dimethyl-1,3,5-oxadiazinane

C5H12N2O — CID 637964

IUPAC3,5-dimethyl-1,3,5-oxadiazinane
SMILESCN1COCN(C)C1
InChIInChI=1S/C5H12N2O/c1-6-3-7(2)5-8-4-6/h3-5H2,1-2H3
InChIKeyPOJNAHKFWBQMED-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.25
Rot. Bonds

About 3,5-dimethyl-1,3,5-oxadiazinane

3,5-dimethyl-1,3,5-oxadiazinane (PubChem CID 637964) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3,5-dimethyl-1,3,5-oxadiazinane.

Molecular Properties

Compound Name3,5-dimethyl-1,3,5-oxadiazinane
PubChem CID637964
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3,5-dimethyl-1,3,5-oxadiazinane
SMILESCN1COCN(C)C1
InChIInChI=1S/C5H12N2O/c1-6-3-7(2)5-8-4-6/h3-5H2,1-2H3
InChIKeyPOJNAHKFWBQMED-UHFFFAOYSA-N
XLogP-0.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3,5-oxadiazinane?
The IUPAC name of 3,5-dimethyl-1,3,5-oxadiazinane (CID 637964) is 3,5-dimethyl-1,3,5-oxadiazinane.
What is the SMILES notation for 3,5-dimethyl-1,3,5-oxadiazinane?
The canonical SMILES for 3,5-dimethyl-1,3,5-oxadiazinane is CN1COCN(C)C1.
What is the InChIKey of 3,5-dimethyl-1,3,5-oxadiazinane?
The InChIKey is POJNAHKFWBQMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-3-7(2)5-8-4-6/h3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3,5-oxadiazinane?
3,5-dimethyl-1,3,5-oxadiazinane has a molecular weight of 116.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3,5-oxadiazinane is sourced from PubChem (CID 637964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).