1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine

C12H24N2O — CID 144812691

IUPAC1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
SMILESCC(C)C1(C)CNCC2OCCN(C)C21
InChIInChI=1S/C12H24N2O/c1-9(2)12(3)8-13-7-10-11(12)14(4)5-6-15-10/h9-11,13H,5-8H2,1-4H3
InChIKeyAJOPDGFKAQRVDJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds1

About 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine

1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine (PubChem CID 144812691) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
PubChem CID144812691
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
SMILESCC(C)C1(C)CNCC2OCCN(C)C21
InChIInChI=1S/C12H24N2O/c1-9(2)12(3)8-13-7-10-11(12)14(4)5-6-15-10/h9-11,13H,5-8H2,1-4H3
InChIKeyAJOPDGFKAQRVDJ-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine?
The IUPAC name of 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine (CID 144812691) is 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine is CC(C)C1(C)CNCC2OCCN(C)C21.
What is the InChIKey of 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine?
The InChIKey is AJOPDGFKAQRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)12(3)8-13-7-10-11(12)14(4)5-6-15-10/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine?
1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8-propan-2-yl-3,4a,5,6,7,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 144812691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).