6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C15H21NO2 — CID 150976400

IUPAC6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCOc1c(C)c(OC)c2c3c1CCCN3CCC2
InChIInChI=1S/C15H21NO2/c1-10-14(17-2)11-6-4-8-16-9-5-7-12(13(11)16)15(10)18-3/h4-9H2,1-3H3
InChIKeyLPEMIKAHWHNUCI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds2

About 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 150976400) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID150976400
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCOc1c(C)c(OC)c2c3c1CCCN3CCC2
InChIInChI=1S/C15H21NO2/c1-10-14(17-2)11-6-4-8-16-9-5-7-12(13(11)16)15(10)18-3/h4-9H2,1-3H3
InChIKeyLPEMIKAHWHNUCI-UHFFFAOYSA-N
XLogP2.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 21029067
7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol
CID 122580532
7-[(3E)-2,3-dimethoxy-3-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)propyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 135200741
6-butoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 129169310
10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
CID 71499800
7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146243266
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146667407
3,5-dimethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 101437500
7-[(6,8-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methyl]-6,8-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 153277388
N-[(E)-1-(1,3-dimethylimidazol-1-ium-2-yl)ethylideneamino]-6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine
CID 89320086
6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
CID 10924795
1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine
CID 168514103

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 150976400) is 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is COc1c(C)c(OC)c2c3c1CCCN3CCC2.
What is the InChIKey of 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is LPEMIKAHWHNUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-14(17-2)11-6-4-8-16-9-5-7-12(13(11)16)15(10)18-3/h4-9H2,1-3H3.
What are the key properties of 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 247.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 150976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).