4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine

C9H15NO — CID 91016798

IUPAC4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine
SMILESCC1=CC(C)N=C(C(C)C)O1
InChIInChI=1S/C9H15NO/c1-6(2)9-10-7(3)5-8(4)11-9/h5-7H,1-4H3
InChIKeySPEHDBUSJLWJRC-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.36
Rot. Bonds1

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

4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine (PubChem CID 91016798) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine.

Molecular Properties

Compound Name4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine
PubChem CID91016798
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine
SMILESCC1=CC(C)N=C(C(C)C)O1
InChIInChI=1S/C9H15NO/c1-6(2)9-10-7(3)5-8(4)11-9/h5-7H,1-4H3
InChIKeySPEHDBUSJLWJRC-UHFFFAOYSA-N
XLogP2.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4,6-tetramethyl-4H-1,3-oxazine
CID 24978409
(4S)-6-(fluoromethyl)-2,4-dimethyl-4H-1,3-oxazine
CID 144465076
4-ethyl-2,6-dimethyl-4H-1,3-oxazine
CID 91242441
4-methyl-6-propan-2-yl-4H-1,3-oxazine
CID 142375066
6-ethyl-2,4-dimethyl-4H-1,3-oxazine
CID 144465049
2,6-dimethyl-N-propan-2-ylpyran-4-imine
CID 21823176
4,4,6-Trimethyl-2-propan-2-yl-1,3-oxazine
CID 45096361

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine?
The IUPAC name of 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine (CID 91016798) is 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine.
What is the SMILES notation for 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine?
The canonical SMILES for 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine is CC1=CC(C)N=C(C(C)C)O1.
What is the InChIKey of 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine?
The InChIKey is SPEHDBUSJLWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)9-10-7(3)5-8(4)11-9/h5-7H,1-4H3.
What are the key properties of 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine?
4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propan-2-yl-4H-1,3-oxazine is sourced from PubChem (CID 91016798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).