9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane

C12H27NO2 — CID 170624050

IUPAC9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
SMILESCC.CC.CC12COCCN1CCOC2
InChIInChI=1S/C8H15NO2.2C2H6/c1-8-6-10-4-2-9(8)3-5-11-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyGSMWMUIIIWLKRY-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.16
Rot. Bonds

About 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane

9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane (PubChem CID 170624050) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane.

Molecular Properties

Compound Name9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
PubChem CID170624050
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
SMILESCC.CC.CC12COCCN1CCOC2
InChIInChI=1S/C8H15NO2.2C2H6/c1-8-6-10-4-2-9(8)3-5-11-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyGSMWMUIIIWLKRY-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane with MolForge

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Related Compounds

(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine
CID 143189502
8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
CID 165353714
2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-yl)propane-2-thiol
CID 170139386
1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine
CID 176829552
1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine
CID 63177593
1-(4-methyl-4-morpholin-4-ylcyclohexyl)piperidin-3-amine
CID 165488142
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
CID 131232394
3,4-diethyl-3-methylmorpholine
CID 127682047
1-(3,3-dimethylmorpholin-4-yl)ethanol
CID 141129564
4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine
CID 107081198

Frequently Asked Questions

What is the IUPAC name of 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane?
The IUPAC name of 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane (CID 170624050) is 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane.
What is the SMILES notation for 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane?
The canonical SMILES for 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane is CC.CC.CC12COCCN1CCOC2.
What is the InChIKey of 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane?
The InChIKey is GSMWMUIIIWLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.2C2H6/c1-8-6-10-4-2-9(8)3-5-11-7-8;2*1-2/h2-7H2,1H3;2*1-2H3.
What are the key properties of 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane?
9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane has a molecular weight of 217.35 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane is sourced from PubChem (CID 170624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).