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

C8H17NO — CID 91090512

IUPAC3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane
SMILESCC.CC1=NOC(C)CC1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-4-6(2)8-7-5;1-2/h6H,3-4H2,1-2H3;1-2H3
InChIKeyLONQWUAXTLGEMB-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.59
Rot. Bonds

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

3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane (PubChem CID 91090512) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane.

Molecular Properties

Compound Name3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane
PubChem CID91090512
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane
SMILESCC.CC1=NOC(C)CC1
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-4-6(2)8-7-5;1-2/h6H,3-4H2,1-2H3;1-2H3
InChIKeyLONQWUAXTLGEMB-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The IUPAC name of 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane (CID 91090512) is 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane.
What is the SMILES notation for 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The canonical SMILES for 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane is CC.CC1=NOC(C)CC1.
What is the InChIKey of 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane?
The InChIKey is LONQWUAXTLGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-3-4-6(2)8-7-5;1-2/h6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane?
3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane has a molecular weight of 143.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane is sourced from PubChem (CID 91090512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).