1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene

C17H19N — CID 88847452

IUPAC1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene
SMILESC1=CC2=CC=C3CCCC=C3N3CCCC(=C1)C23
InChIInChI=1S/C17H19N/c1-2-9-16-13(5-1)10-11-15-7-3-6-14-8-4-12-18(16)17(14)15/h3,6-7,9-11,17H,1-2,4-5,8,12H2
InChIKeyOCIPQYGJFNTFFQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.88
Rot. Bonds

About 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene

1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene (PubChem CID 88847452) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene.

Molecular Properties

Compound Name1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene
PubChem CID88847452
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene
SMILESC1=CC2=CC=C3CCCC=C3N3CCCC(=C1)C23
InChIInChI=1S/C17H19N/c1-2-9-16-13(5-1)10-11-15-7-3-6-14-8-4-12-18(16)17(14)15/h3,6-7,9-11,17H,1-2,4-5,8,12H2
InChIKeyOCIPQYGJFNTFFQ-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene?
The IUPAC name of 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene (CID 88847452) is 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene.
What is the SMILES notation for 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene?
The canonical SMILES for 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene is C1=CC2=CC=C3CCCC=C3N3CCCC(=C1)C23.
What is the InChIKey of 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene?
The InChIKey is OCIPQYGJFNTFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-9-16-13(5-1)10-11-15-7-3-6-14-8-4-12-18(16)17(14)15/h3,6-7,9-11,17H,1-2,4-5,8,12H2.
What are the key properties of 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene?
1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene has a molecular weight of 237.35 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene is sourced from PubChem (CID 88847452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).