(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene

C19H19N — CID 10956340

IUPAC(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
SMILESC[C@]12C[C@@H]3CCc4ccccc4[C@@]31Nc1ccccc12
InChIInChI=1S/C19H19N/c1-18-12-14-11-10-13-6-2-3-7-15(13)19(14,18)20-17-9-5-4-8-16(17)18/h2-9,14,20H,10-12H2,1H3/t14-,18+,19-/m0/s1
InChIKeyHXJRCXHVTKJHGA-KYNGSXCRSA-N
MW261.37 g/mol
LogP4.23
Rot. Bonds

About (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene

(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene (PubChem CID 10956340) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene.

Molecular Properties

Compound Name(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
PubChem CID10956340
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
SMILESC[C@]12C[C@@H]3CCc4ccccc4[C@@]31Nc1ccccc12
InChIInChI=1S/C19H19N/c1-18-12-14-11-10-13-6-2-3-7-15(13)19(14,18)20-17-9-5-4-8-16(17)18/h2-9,14,20H,10-12H2,1H3/t14-,18+,19-/m0/s1
InChIKeyHXJRCXHVTKJHGA-KYNGSXCRSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene?
The IUPAC name of (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene (CID 10956340) is (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene.
What is the SMILES notation for (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene?
The canonical SMILES for (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene is C[C@]12C[C@@H]3CCc4ccccc4[C@@]31Nc1ccccc12.
What is the InChIKey of (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene?
The InChIKey is HXJRCXHVTKJHGA-KYNGSXCRSA-N. The full InChI is InChI=1S/C19H19N/c1-18-12-14-11-10-13-6-2-3-7-15(13)19(14,18)20-17-9-5-4-8-16(17)18/h2-9,14,20H,10-12H2,1H3/t14-,18+,19-/m0/s1.
What are the key properties of (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene?
(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene has a molecular weight of 261.37 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene is sourced from PubChem (CID 10956340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).