2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine

C11H21NO2 — CID 65102498

IUPAC2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
SMILESCCC1(CC)CNC2COCCC2O1
InChIInChI=1S/C11H21NO2/c1-3-11(4-2)8-12-9-7-13-6-5-10(9)14-11/h9-10,12H,3-8H2,1-2H3
InChIKeyJDSUFIHDXUCQJI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds2

About 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine

2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine (PubChem CID 65102498) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
PubChem CID65102498
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
SMILESCCC1(CC)CNC2COCCC2O1
InChIInChI=1S/C11H21NO2/c1-3-11(4-2)8-12-9-7-13-6-5-10(9)14-11/h9-10,12H,3-8H2,1-2H3
InChIKeyJDSUFIHDXUCQJI-UHFFFAOYSA-N
XLogP1.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine with MolForge

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Related Compounds

2-ethyl-2-methyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102215
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219310
(2R,4aS,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219314
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
5-cyclopropyl-2,2-diethyl-1-(oxolan-3-yl)piperazine
CID 64861692
2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine
CID 64840364
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55298686
5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
CID 115431325
2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843041

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine?
The IUPAC name of 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine (CID 65102498) is 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine.
What is the SMILES notation for 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine?
The canonical SMILES for 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine is CCC1(CC)CNC2COCCC2O1.
What is the InChIKey of 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine?
The InChIKey is JDSUFIHDXUCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(4-2)8-12-9-7-13-6-5-10(9)14-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine?
2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine has a molecular weight of 199.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine is sourced from PubChem (CID 65102498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).