2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane

C13H25NO2 — CID 117226653

IUPAC2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(C)(CC2CCCOC2)OC1
InChIInChI=1S/C13H25NO2/c1-12(2)9-14-13(3,16-10-12)7-11-5-4-6-15-8-11/h11,14H,4-10H2,1-3H3
InChIKeyMTJSTYSNEPEWBE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.17
Rot. Bonds2

About 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane

2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane (PubChem CID 117226653) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane
PubChem CID117226653
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(C)(CC2CCCOC2)OC1
InChIInChI=1S/C13H25NO2/c1-12(2)9-14-13(3,16-10-12)7-11-5-4-6-15-8-11/h11,14H,4-10H2,1-3H3
InChIKeyMTJSTYSNEPEWBE-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane?
The IUPAC name of 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane (CID 117226653) is 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane is CC1(C)CNC(C)(CC2CCCOC2)OC1.
What is the InChIKey of 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane?
The InChIKey is MTJSTYSNEPEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)9-14-13(3,16-10-12)7-11-5-4-6-15-8-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane?
2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane has a molecular weight of 227.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-(oxan-3-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117226653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).