11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene

C18H21N — CID 5249956

IUPAC11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
SMILESCN1CCc2ccccc2Cc2ccccc2CC1
InChIInChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
InChIKeyBXOLXXSMCLYDNG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.31
Rot. Bonds

About 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene

11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene (PubChem CID 5249956) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene.

Molecular Properties

Compound Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
PubChem CID5249956
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
SMILESCN1CCc2ccccc2Cc2ccccc2CC1
InChIInChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
InChIKeyBXOLXXSMCLYDNG-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 21772
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CID 197785
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene?
The IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene (CID 5249956) is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene.
What is the SMILES notation for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene?
The canonical SMILES for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene is CN1CCc2ccccc2Cc2ccccc2CC1.
What is the InChIKey of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene?
The InChIKey is BXOLXXSMCLYDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3.
What are the key properties of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene?
11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene has a molecular weight of 251.37 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene is sourced from PubChem (CID 5249956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).