2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine

C8H15NO — CID 12868366

IUPAC2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCC(C)C1=NCCCO1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-9-5-4-6-10-8/h7H,3-6H2,1-2H3
InChIKeyBLKWSSMRZJEVGN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds2

About 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine

2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 12868366) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID12868366
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCC(C)C1=NCCCO1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-9-5-4-6-10-8/h7H,3-6H2,1-2H3
InChIKeyBLKWSSMRZJEVGN-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine (CID 12868366) is 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine is CCC(C)C1=NCCCO1.
What is the InChIKey of 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is BLKWSSMRZJEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7(2)8-9-5-4-6-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine?
2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 141.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 12868366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).