4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C11H21NO — CID 130627677

IUPAC4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCCN1CC(C)OC2CCCCC21
InChIInChI=1S/C11H21NO/c1-3-12-8-9(2)13-11-7-5-4-6-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyKDACEXXAILQGHF-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.04
Rot. Bonds1

About 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 130627677) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID130627677
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCCN1CC(C)OC2CCCCC21
InChIInChI=1S/C11H21NO/c1-3-12-8-9(2)13-11-7-5-4-6-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyKDACEXXAILQGHF-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 130627677) is 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CCN1CC(C)OC2CCCCC21.
What is the InChIKey of 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is KDACEXXAILQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-12-8-9(2)13-11-7-5-4-6-10(11)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 183.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 130627677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).