1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene

C18H19N — CID 23051196

IUPAC1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene
SMILESCc1ccc2c(c1)C1(C)Cc3ccccc3CC2N1
InChIInChI=1S/C18H19N/c1-12-7-8-15-16(9-12)18(2)11-14-6-4-3-5-13(14)10-17(15)19-18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyRTUYZSHHQINUBE-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.65
Rot. Bonds

About 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene

1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene (PubChem CID 23051196) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene.

Molecular Properties

Compound Name1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene
PubChem CID23051196
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene
SMILESCc1ccc2c(c1)C1(C)Cc3ccccc3CC2N1
InChIInChI=1S/C18H19N/c1-12-7-8-15-16(9-12)18(2)11-14-6-4-3-5-13(14)10-17(15)19-18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyRTUYZSHHQINUBE-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene?
The IUPAC name of 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene (CID 23051196) is 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene.
What is the SMILES notation for 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene?
The canonical SMILES for 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene is Cc1ccc2c(c1)C1(C)Cc3ccccc3CC2N1.
What is the InChIKey of 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene?
The InChIKey is RTUYZSHHQINUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12-7-8-15-16(9-12)18(2)11-14-6-4-3-5-13(14)10-17(15)19-18/h3-9,17,19H,10-11H2,1-2H3.
What are the key properties of 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene?
1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene has a molecular weight of 249.36 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene is sourced from PubChem (CID 23051196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).