1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene

C13H14N2 — CID 123710600

IUPAC1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene
SMILESC1=CC=CC=CCC=NN=CC=CC=C1
InChIInChI=1S/C13H14N2/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-10,12-13H,11H2
InChIKeyMJZUPNAOSVVLDM-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.23
Rot. Bonds

About 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene

1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene (PubChem CID 123710600) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene.

Molecular Properties

Compound Name1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene
PubChem CID123710600
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene
SMILESC1=CC=CC=CCC=NN=CC=CC=C1
InChIInChI=1S/C13H14N2/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-10,12-13H,11H2
InChIKeyMJZUPNAOSVVLDM-UHFFFAOYSA-N
XLogP3.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene?
The IUPAC name of 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene (CID 123710600) is 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene.
What is the SMILES notation for 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene?
The canonical SMILES for 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene is C1=CC=CC=CCC=NN=CC=CC=C1.
What is the InChIKey of 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene?
The InChIKey is MJZUPNAOSVVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-10,12-13H,11H2.
What are the key properties of 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene?
1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene has a molecular weight of 198.27 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazacyclopentadeca-2,5,7,9,11,13,15-heptaene is sourced from PubChem (CID 123710600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).