3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane

C8H17NO — CID 90744417

IUPAC3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane
SMILESCC.CC1=NOCC(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyUKOREMFGVVOHCM-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds

About 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane

3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane (PubChem CID 90744417) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane.

Molecular Properties

Compound Name3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane
PubChem CID90744417
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane
SMILESCC.CC1=NOCC(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyUKOREMFGVVOHCM-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The IUPAC name of 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane (CID 90744417) is 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane.
What is the SMILES notation for 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The canonical SMILES for 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane is CC.CC1=NOCC(C)C1.
What is the InChIKey of 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The InChIKey is UKOREMFGVVOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane?
3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane has a molecular weight of 143.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5,6-dihydro-4H-oxazine;ethane is sourced from PubChem (CID 90744417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).