(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene

C18H17N — CID 10243706

IUPAC(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3C2[C@@H]2CNC[C@H]12
InChIInChI=1S/C18H17N/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-8,15-19H,9-10H2/t15-,16+,17?,18?
InChIKeyZLICBEFTGDELDU-OQSMONGASA-N
MW247.34 g/mol
LogP3.11
Rot. Bonds

About (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene

(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene (PubChem CID 10243706) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
PubChem CID10243706
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3C2[C@@H]2CNC[C@H]12
InChIInChI=1S/C18H17N/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-8,15-19H,9-10H2/t15-,16+,17?,18?
InChIKeyZLICBEFTGDELDU-OQSMONGASA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14225605
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CID 66394400
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Frequently Asked Questions

What is the IUPAC name of (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene (CID 10243706) is (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene is c1ccc2c(c1)C1c3ccccc3C2[C@@H]2CNC[C@H]12.
What is the InChIKey of (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene?
The InChIKey is ZLICBEFTGDELDU-OQSMONGASA-N. The full InChI is InChI=1S/C18H17N/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-8,15-19H,9-10H2/t15-,16+,17?,18?.
What are the key properties of (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene?
(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene has a molecular weight of 247.34 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 10243706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).