4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine

C9H17NO — CID 89177113

IUPAC4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=C(C(C)C)OCCN1C
InChIInChI=1S/C9H17NO/c1-7(2)9-8(3)10(4)5-6-11-9/h7H,5-6H2,1-4H3
InChIKeyBWCDUBSBQYXOJK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.84
Rot. Bonds1

About 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine

4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine (PubChem CID 89177113) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine
PubChem CID89177113
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=C(C(C)C)OCCN1C
InChIInChI=1S/C9H17NO/c1-7(2)9-8(3)10(4)5-6-11-9/h7H,5-6H2,1-4H3
InChIKeyBWCDUBSBQYXOJK-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine (CID 89177113) is 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine is CC1=C(C(C)C)OCCN1C.
What is the InChIKey of 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine?
The InChIKey is BWCDUBSBQYXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9-8(3)10(4)5-6-11-9/h7H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine?
4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 89177113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).