4,6,6-trimethyloxazinane

C7H15NO — CID 144764543

IUPAC4,6,6-trimethyloxazinane
SMILESCC1CNOC(C)(C)C1
InChIInChI=1S/C7H15NO/c1-6-4-7(2,3)9-8-5-6/h6,8H,4-5H2,1-3H3
InChIKeySPLBXYLIHZOGCU-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.33
Rot. Bonds

About 4,6,6-trimethyloxazinane

4,6,6-trimethyloxazinane (PubChem CID 144764543) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4,6,6-trimethyloxazinane.

Molecular Properties

Compound Name4,6,6-trimethyloxazinane
PubChem CID144764543
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4,6,6-trimethyloxazinane
SMILESCC1CNOC(C)(C)C1
InChIInChI=1S/C7H15NO/c1-6-4-7(2,3)9-8-5-6/h6,8H,4-5H2,1-3H3
InChIKeySPLBXYLIHZOGCU-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyloxazinane?
The IUPAC name of 4,6,6-trimethyloxazinane (CID 144764543) is 4,6,6-trimethyloxazinane.
What is the SMILES notation for 4,6,6-trimethyloxazinane?
The canonical SMILES for 4,6,6-trimethyloxazinane is CC1CNOC(C)(C)C1.
What is the InChIKey of 4,6,6-trimethyloxazinane?
The InChIKey is SPLBXYLIHZOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-7(2,3)9-8-5-6/h6,8H,4-5H2,1-3H3.
What are the key properties of 4,6,6-trimethyloxazinane?
4,6,6-trimethyloxazinane has a molecular weight of 129.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyloxazinane is sourced from PubChem (CID 144764543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).