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

C11H21NO — CID 43174763

IUPAC6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCCC1CCC2OCC(C)NC2C1
InChIInChI=1S/C11H21NO/c1-3-9-4-5-11-10(6-9)12-8(2)7-13-11/h8-12H,3-7H2,1-2H3
InChIKeyXKRGAUHUYKTTKN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds1

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

6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (PubChem CID 43174763) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.

Molecular Properties

Compound Name6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
PubChem CID43174763
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCCC1CCC2OCC(C)NC2C1
InChIInChI=1S/C11H21NO/c1-3-9-4-5-11-10(6-9)12-8(2)7-13-11/h8-12H,3-7H2,1-2H3
InChIKeyXKRGAUHUYKTTKN-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine with MolForge

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Related Compounds

6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 55159045
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 62516849
CID 45052171
CID 45052171
1,3-diethylcyclopentane
CID 530396
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1-ethyl-3-methylcyclopentane;methane
CID 144878558
7-propyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 60916186
3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64753214
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
4-ethyl-2-(oxolan-3-yl)cyclohexan-1-ol
CID 79422205

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The IUPAC name of 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (CID 43174763) is 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.
What is the SMILES notation for 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The canonical SMILES for 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is CCC1CCC2OCC(C)NC2C1.
What is the InChIKey of 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The InChIKey is XKRGAUHUYKTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9-4-5-11-10(6-9)12-8(2)7-13-11/h8-12H,3-7H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is sourced from PubChem (CID 43174763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).