9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene

C16H15N — CID 87680128

IUPAC9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene
SMILESC1=CC2=c3ccccc3=CN3CCCC(=C1)C23
InChIInChI=1S/C16H15N/c1-2-8-14-13(5-1)11-17-10-4-7-12-6-3-9-15(14)16(12)17/h1-3,5-6,8-9,11,16H,4,7,10H2
InChIKeyNCMHBWBCAFEYON-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds

About 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene

9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene (PubChem CID 87680128) 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-1,3,5,7,13,15-hexaene.

Molecular Properties

Compound Name9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene
PubChem CID87680128
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene
SMILESC1=CC2=c3ccccc3=CN3CCCC(=C1)C23
InChIInChI=1S/C16H15N/c1-2-8-14-13(5-1)11-17-10-4-7-12-6-3-9-15(14)16(12)17/h1-3,5-6,8-9,11,16H,4,7,10H2
InChIKeyNCMHBWBCAFEYON-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene?
The IUPAC name of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene (CID 87680128) is 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene.
What is the SMILES notation for 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene?
The canonical SMILES for 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene is C1=CC2=c3ccccc3=CN3CCCC(=C1)C23.
What is the InChIKey of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene?
The InChIKey is NCMHBWBCAFEYON-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/h1-3,5-6,8-9,11,16H,4,7,10H2.
What are the key properties of 9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene?
9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13,15-hexaene has a molecular weight of 221.30 g/mol, XLogP of 1.55, 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-1,3,5,7,13,15-hexaene is sourced from PubChem (CID 87680128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).