3,5-dimethyl-1,3,5-oxadiazinan-4-ol

C5H12N2O2 — CID 166765421

IUPAC3,5-dimethyl-1,3,5-oxadiazinan-4-ol
SMILESCN1COCN(C)C1O
InChIInChI=1S/C5H12N2O2/c1-6-3-9-4-7(2)5(6)8/h5,8H,3-4H2,1-2H3
InChIKeyDTMRZXFIAUNZRF-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.93
Rot. Bonds

About 3,5-dimethyl-1,3,5-oxadiazinan-4-ol

3,5-dimethyl-1,3,5-oxadiazinan-4-ol (PubChem CID 166765421) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,5-dimethyl-1,3,5-oxadiazinan-4-ol.

Molecular Properties

Compound Name3,5-dimethyl-1,3,5-oxadiazinan-4-ol
PubChem CID166765421
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3,5-dimethyl-1,3,5-oxadiazinan-4-ol
SMILESCN1COCN(C)C1O
InChIInChI=1S/C5H12N2O2/c1-6-3-9-4-7(2)5(6)8/h5,8H,3-4H2,1-2H3
InChIKeyDTMRZXFIAUNZRF-UHFFFAOYSA-N
XLogP-0.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1,3,5-oxadiazinane
CID 637964
3-(Hydroxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
CID 20648431
[[Hydroxymethyl(methyl)amino]methyl-methylamino]methanol
CID 53942782
[3,5-Bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol
CID 58827812
Bis[methoxymethyl(methyl)amino]methanol
CID 58997853
3,5-Bis(methoxymethyl)-1,3,5-oxadiazinane
CID 67624248
1,3,5-Tris(hydroxymethyl)-1,3,5-triazinane-2,4,6-triol
CID 70171447
3-(Methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-ol
CID 141796350
[3,5-Bis(hydroxymethyl)-1,3,5-triazinan-1-yl]methanol;hydron
CID 174522874
1,3,5-Trimethyl-1,3,5-triazinan-2-ol
CID 174987028
[[Bis(hydroxymethyl)amino]methyl-methylamino]methanol
CID 176149040
3-(Hydroxymethyl)-5-(methoxymethyl)-1,3,5-oxadiazinan-4-one
CID 23262911

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3,5-oxadiazinan-4-ol?
The IUPAC name of 3,5-dimethyl-1,3,5-oxadiazinan-4-ol (CID 166765421) is 3,5-dimethyl-1,3,5-oxadiazinan-4-ol.
What is the SMILES notation for 3,5-dimethyl-1,3,5-oxadiazinan-4-ol?
The canonical SMILES for 3,5-dimethyl-1,3,5-oxadiazinan-4-ol is CN1COCN(C)C1O.
What is the InChIKey of 3,5-dimethyl-1,3,5-oxadiazinan-4-ol?
The InChIKey is DTMRZXFIAUNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-6-3-9-4-7(2)5(6)8/h5,8H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3,5-oxadiazinan-4-ol?
3,5-dimethyl-1,3,5-oxadiazinan-4-ol has a molecular weight of 132.16 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3,5-oxadiazinan-4-ol is sourced from PubChem (CID 166765421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).