3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane

C6H12N2O — CID 59006246

IUPAC3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane
SMILESC=C1N(C)COCN1C
InChIInChI=1S/C6H12N2O/c1-6-7(2)4-9-5-8(6)3/h1,4-5H2,2-3H3
InChIKeyAFNHZODGVGLXMT-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.27
Rot. Bonds

About 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane

3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane (PubChem CID 59006246) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane.

Molecular Properties

Compound Name3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane
PubChem CID59006246
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane
SMILESC=C1N(C)COCN1C
InChIInChI=1S/C6H12N2O/c1-6-7(2)4-9-5-8(6)3/h1,4-5H2,2-3H3
InChIKeyAFNHZODGVGLXMT-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Trimethyl-2-methylidene-1,3,5-triazinane
CID 54536653
3-Methyl-4-methylidene-1,3,5-oxadiazinane
CID 59164371
3,5-Dimethyl-2-methylidene-1,3,5-oxadiazinane
CID 67978399
3,5-Bis(methoxymethyl)-4-methylidene-1,3,5-oxadiazinane
CID 89197968

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane?
The IUPAC name of 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane (CID 59006246) is 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane.
What is the SMILES notation for 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane?
The canonical SMILES for 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane is C=C1N(C)COCN1C.
What is the InChIKey of 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane?
The InChIKey is AFNHZODGVGLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6-7(2)4-9-5-8(6)3/h1,4-5H2,2-3H3.
What are the key properties of 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane?
3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane has a molecular weight of 128.17 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylidene-1,3,5-oxadiazinane is sourced from PubChem (CID 59006246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).