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

C11H21NO — CID 64753214

IUPAC3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC1CC(C)C2NC(C)COC2C1
InChIInChI=1S/C11H21NO/c1-7-4-8(2)11-10(5-7)13-6-9(3)12-11/h7-12H,4-6H2,1-3H3
InChIKeyUPZMHWCTHYHEJH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds

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

3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (PubChem CID 64753214) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.

Molecular Properties

Compound Name3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
PubChem CID64753214
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC1CC(C)C2NC(C)COC2C1
InChIInChI=1S/C11H21NO/c1-7-4-8(2)11-10(5-7)13-6-9(3)12-11/h7-12H,4-6H2,1-3H3
InChIKeyUPZMHWCTHYHEJH-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-3-carboxylic acid
CID 115825764
3-benzyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64751241
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64751242
6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 43174763
methane;1,2,4-trimethylcyclopentane
CID 157268000
3,5-dimethylmorpholine
CID 8862
(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
CID 177218035
(2S)-2,3,5-trimethyloxane
CID 58758243
1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825472
(4aS,7S,8aS)-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59079572
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The IUPAC name of 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (CID 64753214) is 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.
What is the SMILES notation for 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The canonical SMILES for 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is CC1CC(C)C2NC(C)COC2C1.
What is the InChIKey of 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The InChIKey is UPZMHWCTHYHEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-4-8(2)11-10(5-7)13-6-9(3)12-11/h7-12H,4-6H2,1-3H3.
What are the key properties of 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
3,5,7-trimethyl-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 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is sourced from PubChem (CID 64753214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).