1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene

C18H19N — CID 23051140

IUPAC1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
SMILESCC1c2ccccc2CC2NC1(C)c1ccccc12
InChIInChI=1S/C18H19N/c1-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)18(12,2)19-17/h3-10,12,17,19H,11H2,1-2H3
InChIKeyYDZRGMYVEGSVTL-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.91
Rot. Bonds

About 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene

1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene (PubChem CID 23051140) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene.

Molecular Properties

Compound Name1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
PubChem CID23051140
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
SMILESCC1c2ccccc2CC2NC1(C)c1ccccc12
InChIInChI=1S/C18H19N/c1-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)18(12,2)19-17/h3-10,12,17,19H,11H2,1-2H3
InChIKeyYDZRGMYVEGSVTL-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The IUPAC name of 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene (CID 23051140) is 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene.
What is the SMILES notation for 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The canonical SMILES for 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene is CC1c2ccccc2CC2NC1(C)c1ccccc12.
What is the InChIKey of 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The InChIKey is YDZRGMYVEGSVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)18(12,2)19-17/h3-10,12,17,19H,11H2,1-2H3.
What are the key properties of 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene has a molecular weight of 249.36 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene is sourced from PubChem (CID 23051140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).