7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene

C15H16N2 — CID 11601021

IUPAC7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene
SMILESC1=C2CCC=C2c2cccc3c2N1CCNC3
InChIInChI=1S/C15H16N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,5-6,10,16H,2,4,7-9H2
InChIKeyXCXOYEIRSLNCRD-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.67
Rot. Bonds

About 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene

7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene (PubChem CID 11601021) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene.

Molecular Properties

Compound Name7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene
PubChem CID11601021
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene
SMILESC1=C2CCC=C2c2cccc3c2N1CCNC3
InChIInChI=1S/C15H16N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,5-6,10,16H,2,4,7-9H2
InChIKeyXCXOYEIRSLNCRD-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene with MolForge

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Related Compounds

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5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055302
(2S,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055320
5-methyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-6-one
CID 117016011
8,11,14,17,20-pentazatricyclo[20.3.1.12,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-26,27-diol
CID 11060927
(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 10083108
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CID 86712750
(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 21036483
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
1,2,3,4-tetrahydroisoquinoline;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene?
The IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene (CID 11601021) is 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene.
What is the SMILES notation for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene?
The canonical SMILES for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene is C1=C2CCC=C2c2cccc3c2N1CCNC3.
What is the InChIKey of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene?
The InChIKey is XCXOYEIRSLNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,5-6,10,16H,2,4,7-9H2.
What are the key properties of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene?
7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene has a molecular weight of 224.31 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),11,15-pentaene is sourced from PubChem (CID 11601021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).