(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol

C19H26N2O — CID 163023140

IUPAC(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol
SMILESCC[C@]12CCCN3CC[C@H]4c5ccccc5N([C@H]4[C@H]31)[C@@H](O)C2
InChIInChI=1S/C19H26N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,14,16-18,22H,2,5,8-12H2,1H3/t14-,16-,17+,18-,19+/m0/s1
InChIKeyLDHUNICCSKTUCE-BHNDVYRESA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds1

About (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol

(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol (PubChem CID 163023140) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol.

Molecular Properties

Compound Name(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol
PubChem CID163023140
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol
SMILESCC[C@]12CCCN3CC[C@H]4c5ccccc5N([C@H]4[C@H]31)[C@@H](O)C2
InChIInChI=1S/C19H26N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,14,16-18,22H,2,5,8-12H2,1H3/t14-,16-,17+,18-,19+/m0/s1
InChIKeyLDHUNICCSKTUCE-BHNDVYRESA-N
XLogP2.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol?
The IUPAC name of (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol (CID 163023140) is (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol.
What is the SMILES notation for (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol?
The canonical SMILES for (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol is CC[C@]12CCCN3CC[C@H]4c5ccccc5N([C@H]4[C@H]31)[C@@H](O)C2.
What is the InChIKey of (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol?
The InChIKey is LDHUNICCSKTUCE-BHNDVYRESA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,14,16-18,22H,2,5,8-12H2,1H3/t14-,16-,17+,18-,19+/m0/s1.
What are the key properties of (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol?
(8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol has a molecular weight of 298.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,15R,17S,18R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6-trien-17-ol is sourced from PubChem (CID 163023140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).