6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C17H25NO — CID 91510783

IUPAC6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc2c3c1C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C17H25NO/c1-16(2)8-10-18-11-9-17(3,4)14-13(19-5)7-6-12(16)15(14)18/h6-7H,8-11H2,1-5H3
InChIKeyXBBDHRQDFILWDZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.86
Rot. Bonds1

About 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 91510783) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID91510783
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc2c3c1C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C17H25NO/c1-16(2)8-10-18-11-9-17(3,4)14-13(19-5)7-6-12(16)15(14)18/h6-7H,8-11H2,1-5H3
InChIKeyXBBDHRQDFILWDZ-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 91510783) is 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COc1ccc2c3c1C(C)(C)CCN3CCC2(C)C.
What is the InChIKey of 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is XBBDHRQDFILWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)8-10-18-11-9-17(3,4)14-13(19-5)7-6-12(16)15(14)18/h6-7H,8-11H2,1-5H3.
What are the key properties of 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 259.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 91510783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).