1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene

C13H13N — CID 12588520

IUPAC1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccccccncccccc1
InChIInChI=1S/C13H13N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-13H/b2-1-,3-1+,4-2-,5-3+,6-4+,7-5-,8-6+,9-7+,10-8-,11-9+,12-10+,13-11-,14-12+,14-13-
InChIKeyFJXVKFZEBLYTSY-ZONUKMONSA-N
MW183.25 g/mol
LogP3.33
Rot. Bonds

About 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene

1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 12588520) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID12588520
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccccccncccccc1
InChIInChI=1S/C13H13N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-13H/b2-1-,3-1+,4-2-,5-3+,6-4+,7-5-,8-6+,9-7+,10-8-,11-9+,12-10+,13-11-,14-12+,14-13-
InChIKeyFJXVKFZEBLYTSY-ZONUKMONSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene (CID 12588520) is 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene is c1ccccccncccccc1.
What is the InChIKey of 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is FJXVKFZEBLYTSY-ZONUKMONSA-N. The full InChI is InChI=1S/C13H13N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-13H/b2-1-,3-1+,4-2-,5-3+,6-4+,7-5-,8-6+,9-7+,10-8-,11-9+,12-10+,13-11-,14-12+,14-13-.
What are the key properties of 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene?
1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 183.25 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclotetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 12588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).