3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine

C12H23NO — CID 59371118

IUPAC3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine
SMILESCC(C)CC1(C)OCC2CCCCN21
InChIInChI=1S/C12H23NO/c1-10(2)8-12(3)13-7-5-4-6-11(13)9-14-12/h10-11H,4-9H2,1-3H3
InChIKeyAYABISHJXYODRD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds2

About 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine

3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 59371118) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine
PubChem CID59371118
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine
SMILESCC(C)CC1(C)OCC2CCCCN21
InChIInChI=1S/C12H23NO/c1-10(2)8-12(3)13-7-5-4-6-11(13)9-14-12/h10-11H,4-9H2,1-3H3
InChIKeyAYABISHJXYODRD-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine (CID 59371118) is 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine is CC(C)CC1(C)OCC2CCCCN21.
What is the InChIKey of 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is AYABISHJXYODRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-12(3)13-7-5-4-6-11(13)9-14-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 59371118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).