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

C9H17NO — CID 89027412

IUPAC2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(C(C)C)OCC1
InChIInChI=1S/C9H17NO/c1-7(2)9(4)10-8(3)5-6-11-9/h7H,5-6H2,1-4H3
InChIKeyBJHJLSSPQODZPX-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds1

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

2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine (PubChem CID 89027412) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine
PubChem CID89027412
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(C(C)C)OCC1
InChIInChI=1S/C9H17NO/c1-7(2)9(4)10-8(3)5-6-11-9/h7H,5-6H2,1-4H3
InChIKeyBJHJLSSPQODZPX-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine (CID 89027412) is 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine is CC1=NC(C)(C(C)C)OCC1.
What is the InChIKey of 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine?
The InChIKey is BJHJLSSPQODZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(4)10-8(3)5-6-11-9/h7H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine?
2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine has a molecular weight of 155.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-propan-2-yl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 89027412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).