4,4-dimethyl-1,2,5-oxadiazine;ethane

C9H20N2O — CID 164540095

IUPAC4,4-dimethyl-1,2,5-oxadiazine;ethane
SMILESCC.CC.CC1(C)C=NOC=N1
InChIInChI=1S/C5H8N2O.2C2H6/c1-5(2)3-7-8-4-6-5;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyCCUMZGOORKNLLZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.86
Rot. Bonds

About 4,4-dimethyl-1,2,5-oxadiazine;ethane

4,4-dimethyl-1,2,5-oxadiazine;ethane (PubChem CID 164540095) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,4-dimethyl-1,2,5-oxadiazine;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1,2,5-oxadiazine;ethane
PubChem CID164540095
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4,4-dimethyl-1,2,5-oxadiazine;ethane
SMILESCC.CC.CC1(C)C=NOC=N1
InChIInChI=1S/C5H8N2O.2C2H6/c1-5(2)3-7-8-4-6-5;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyCCUMZGOORKNLLZ-UHFFFAOYSA-N
XLogP2.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,2,5-oxadiazine;ethane?
The IUPAC name of 4,4-dimethyl-1,2,5-oxadiazine;ethane (CID 164540095) is 4,4-dimethyl-1,2,5-oxadiazine;ethane.
What is the SMILES notation for 4,4-dimethyl-1,2,5-oxadiazine;ethane?
The canonical SMILES for 4,4-dimethyl-1,2,5-oxadiazine;ethane is CC.CC.CC1(C)C=NOC=N1.
What is the InChIKey of 4,4-dimethyl-1,2,5-oxadiazine;ethane?
The InChIKey is CCUMZGOORKNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.2C2H6/c1-5(2)3-7-8-4-6-5;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of 4,4-dimethyl-1,2,5-oxadiazine;ethane?
4,4-dimethyl-1,2,5-oxadiazine;ethane has a molecular weight of 172.27 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,2,5-oxadiazine;ethane is sourced from PubChem (CID 164540095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).