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

C11H21NO — CID 115824652

IUPAC3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1COC2C(CCCC2(C)C)N1
InChIInChI=1S/C11H21NO/c1-8-7-13-10-9(12-8)5-4-6-11(10,2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyCHKJIIPGFBVYKB-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds

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

3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 115824652) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID115824652
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1COC2C(CCCC2(C)C)N1
InChIInChI=1S/C11H21NO/c1-8-7-13-10-9(12-8)5-4-6-11(10,2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyCHKJIIPGFBVYKB-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824655
8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824648
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
2,2-dimethyl-6-(6-methylpiperidin-2-yl)cyclohexan-1-ol
CID 116685574
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]
CID 115824704
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]
CID 115824706
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
CID 114287306
2-methyl-6-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 106780757

Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine (CID 115824652) is 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine is CC1COC2C(CCCC2(C)C)N1.
What is the InChIKey of 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is CHKJIIPGFBVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-7-13-10-9(12-8)5-4-6-11(10,2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 115824652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).