4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine

C10H17NO — CID 45096361

IUPAC4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine
SMILESCC1=CC(C)(C)N=C(C(C)C)O1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h6-7H,1-5H3
InChIKeyZIRXRLWGAPXESI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.75
Rot. Bonds1

About 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine

4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine (PubChem CID 45096361) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine
PubChem CID45096361
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine
SMILESCC1=CC(C)(C)N=C(C(C)C)O1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h6-7H,1-5H3
InChIKeyZIRXRLWGAPXESI-UHFFFAOYSA-N
XLogP2.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine (CID 45096361) is 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine is CC1=CC(C)(C)N=C(C(C)C)O1.
What is the InChIKey of 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine?
The InChIKey is ZIRXRLWGAPXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h6-7H,1-5H3.
What are the key properties of 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine?
4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine has a molecular weight of 167.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-propan-2-yl-1,3-oxazine is sourced from PubChem (CID 45096361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).