9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene

C16H15N — CID 69216825

IUPAC9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
SMILESc1ccc2c(c1)CN1CCCc3cccc-2c31
InChIInChI=1S/C16H15N/c1-2-8-14-13(5-1)11-17-10-4-7-12-6-3-9-15(14)16(12)17/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyLLIKGADQYHAZMA-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.62
Rot. Bonds

About 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene

9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene (PubChem CID 69216825) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene.

Molecular Properties

Compound Name9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
PubChem CID69216825
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
SMILESc1ccc2c(c1)CN1CCCc3cccc-2c31
InChIInChI=1S/C16H15N/c1-2-8-14-13(5-1)11-17-10-4-7-12-6-3-9-15(14)16(12)17/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyLLIKGADQYHAZMA-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene?
The IUPAC name of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene (CID 69216825) is 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene.
What is the SMILES notation for 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene?
The canonical SMILES for 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene is c1ccc2c(c1)CN1CCCc3cccc-2c31.
What is the InChIKey of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene?
The InChIKey is LLIKGADQYHAZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-8-14-13(5-1)11-17-10-4-7-12-6-3-9-15(14)16(12)17/h1-3,5-6,8-9H,4,7,10-11H2.
What are the key properties of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene?
9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene has a molecular weight of 221.30 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene is sourced from PubChem (CID 69216825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).