4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine

C13H25NO — CID 90075952

IUPAC4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCO1
InChIInChI=1S/C13H25NO/c1-9(2)12-13(10(3)4)15-8-7-14(12)11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyFLAGFAHNEQYYHT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.25
Rot. Bonds3

About 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine

4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine (PubChem CID 90075952) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine
PubChem CID90075952
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCO1
InChIInChI=1S/C13H25NO/c1-9(2)12-13(10(3)4)15-8-7-14(12)11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyFLAGFAHNEQYYHT-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine (CID 90075952) is 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine is CC(C)C1=C(C(C)C)N(C(C)C)CCO1.
What is the InChIKey of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine?
The InChIKey is FLAGFAHNEQYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)12-13(10(3)4)15-8-7-14(12)11(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine?
4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine has a molecular weight of 211.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 90075952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).