6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene

C21H19N — CID 122463957

IUPAC6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene
SMILESCCN1CCc2c1ccc1ccc3c(c21)-c1ccccc1C3
InChIInChI=1S/C21H19N/c1-2-22-12-11-18-19(22)10-9-14-7-8-16-13-15-5-3-4-6-17(15)21(16)20(14)18/h3-10H,2,11-13H2,1H3
InChIKeyQHGVLVFEZRGCCA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.79
Rot. Bonds1

About 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene

6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene (PubChem CID 122463957) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene.

Molecular Properties

Compound Name6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene
PubChem CID122463957
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene
SMILESCCN1CCc2c1ccc1ccc3c(c21)-c1ccccc1C3
InChIInChI=1S/C21H19N/c1-2-22-12-11-18-19(22)10-9-14-7-8-16-13-15-5-3-4-6-17(15)21(16)20(14)18/h3-10H,2,11-13H2,1H3
InChIKeyQHGVLVFEZRGCCA-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene?
The IUPAC name of 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene (CID 122463957) is 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene.
What is the SMILES notation for 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene?
The canonical SMILES for 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene is CCN1CCc2c1ccc1ccc3c(c21)-c1ccccc1C3.
What is the InChIKey of 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene?
The InChIKey is QHGVLVFEZRGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-22-12-11-18-19(22)10-9-14-7-8-16-13-15-5-3-4-6-17(15)21(16)20(14)18/h3-10H,2,11-13H2,1H3.
What are the key properties of 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene?
6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene has a molecular weight of 285.39 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene is sourced from PubChem (CID 122463957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).