7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene

C15H18N2 — CID 6604933

IUPAC7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene
SMILESc1cc2c3c(c1)c1c(n3CCNC2)CCCC1
InChIInChI=1S/C15H18N2/c1-2-7-14-12(5-1)13-6-3-4-11-10-16-8-9-17(14)15(11)13/h3-4,6,16H,1-2,5,7-10H2
InChIKeyOIGHTPDWPMLMGT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.62
Rot. Bonds

About 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene

7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene (PubChem CID 6604933) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene.

Molecular Properties

Compound Name7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene
PubChem CID6604933
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene
SMILESc1cc2c3c(c1)c1c(n3CCNC2)CCCC1
InChIInChI=1S/C15H18N2/c1-2-7-14-12(5-1)13-6-3-4-11-10-16-8-9-17(14)15(11)13/h3-4,6,16H,1-2,5,7-10H2
InChIKeyOIGHTPDWPMLMGT-UHFFFAOYSA-N
XLogP2.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene?
The IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene (CID 6604933) is 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene.
What is the SMILES notation for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene?
The canonical SMILES for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene is c1cc2c3c(c1)c1c(n3CCNC2)CCCC1.
What is the InChIKey of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene?
The InChIKey is OIGHTPDWPMLMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-7-14-12(5-1)13-6-3-4-11-10-16-8-9-17(14)15(11)13/h3-4,6,16H,1-2,5,7-10H2.
What are the key properties of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene?
7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene is sourced from PubChem (CID 6604933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).