9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine

C15H29NO2 — CID 24755527

IUPAC9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
SMILESCCCCC12OCC(C)(C)CN1CC(C)(C)CO2
InChIInChI=1S/C15H29NO2/c1-6-7-8-15-16(9-13(2,3)11-17-15)10-14(4,5)12-18-15/h6-12H2,1-5H3
InChIKeyNAIHRQMSYNTWEI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.25
Rot. Bonds3

About 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine

9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine (PubChem CID 24755527) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine.

Molecular Properties

Compound Name9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
PubChem CID24755527
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine
SMILESCCCCC12OCC(C)(C)CN1CC(C)(C)CO2
InChIInChI=1S/C15H29NO2/c1-6-7-8-15-16(9-13(2,3)11-17-15)10-14(4,5)12-18-15/h6-12H2,1-5H3
InChIKeyNAIHRQMSYNTWEI-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The IUPAC name of 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine (CID 24755527) is 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine.
What is the SMILES notation for 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The canonical SMILES for 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine is CCCCC12OCC(C)(C)CN1CC(C)(C)CO2.
What is the InChIKey of 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
The InChIKey is NAIHRQMSYNTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-7-8-15-16(9-13(2,3)11-17-15)10-14(4,5)12-18-15/h6-12H2,1-5H3.
What are the key properties of 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine?
9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine has a molecular weight of 255.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-butyl-3,3,7,7-tetramethyl-2,4,6,8-tetrahydro-[1,3]oxazino[2,3-b][1,3]oxazine is sourced from PubChem (CID 24755527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).