3,5,5-trimethyl-1,3-oxazinane

C7H15NO — CID 641524

IUPAC3,5,5-trimethyl-1,3-oxazinane
SMILESCN1COCC(C)(C)C1
InChIInChI=1S/C7H15NO/c1-7(2)4-8(3)6-9-5-7/h4-6H2,1-3H3
InChIKeyIFIKJPRYBJWXSD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds

About 3,5,5-trimethyl-1,3-oxazinane

3,5,5-trimethyl-1,3-oxazinane (PubChem CID 641524) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3,5,5-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name3,5,5-trimethyl-1,3-oxazinane
PubChem CID641524
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3,5,5-trimethyl-1,3-oxazinane
SMILESCN1COCC(C)(C)C1
InChIInChI=1S/C7H15NO/c1-7(2)4-8(3)6-9-5-7/h4-6H2,1-3H3
InChIKeyIFIKJPRYBJWXSD-UHFFFAOYSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1,3-oxazinane?
The IUPAC name of 3,5,5-trimethyl-1,3-oxazinane (CID 641524) is 3,5,5-trimethyl-1,3-oxazinane.
What is the SMILES notation for 3,5,5-trimethyl-1,3-oxazinane?
The canonical SMILES for 3,5,5-trimethyl-1,3-oxazinane is CN1COCC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-1,3-oxazinane?
The InChIKey is IFIKJPRYBJWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)4-8(3)6-9-5-7/h4-6H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-1,3-oxazinane?
3,5,5-trimethyl-1,3-oxazinane has a molecular weight of 129.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1,3-oxazinane is sourced from PubChem (CID 641524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).