6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

C15H27NO — CID 63297499

IUPAC6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC(C)(C)C1CCC2OC(C3CC3)CNC2C1
InChIInChI=1S/C15H27NO/c1-15(2,3)11-6-7-13-12(8-11)16-9-14(17-13)10-4-5-10/h10-14,16H,4-9H2,1-3H3
InChIKeyWEQMUGCZBWFZDR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds1

About 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (PubChem CID 63297499) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.

Molecular Properties

Compound Name6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
PubChem CID63297499
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC(C)(C)C1CCC2OC(C3CC3)CNC2C1
InChIInChI=1S/C15H27NO/c1-15(2,3)11-6-7-13-12(8-11)16-9-14(17-13)10-4-5-10/h10-14,16H,4-9H2,1-3H3
InChIKeyWEQMUGCZBWFZDR-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The IUPAC name of 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (CID 63297499) is 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.
What is the SMILES notation for 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The canonical SMILES for 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is CC(C)(C)C1CCC2OC(C3CC3)CNC2C1.
What is the InChIKey of 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The InChIKey is WEQMUGCZBWFZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)11-6-7-13-12(8-11)16-9-14(17-13)10-4-5-10/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is sourced from PubChem (CID 63297499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).