(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene

C16H19N — CID 139479473

IUPAC(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene
SMILESC[C@]12CCCC=C=CC1NC1=C2C=CCC=C1
InChIInChI=1S/C16H19N/c1-16-12-8-3-2-7-11-15(16)17-14-10-6-4-5-9-13(14)16/h2,5-6,9-11,15,17H,3-4,8,12H2,1H3/t7?,15?,16-/m1/s1
InChIKeyLJPVPDOYKAZUFS-DBKGUEDDSA-N
MW225.33 g/mol
LogP3.63
Rot. Bonds

About (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene

(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene (PubChem CID 139479473) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene.

Molecular Properties

Compound Name(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene
PubChem CID139479473
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene
SMILESC[C@]12CCCC=C=CC1NC1=C2C=CCC=C1
InChIInChI=1S/C16H19N/c1-16-12-8-3-2-7-11-15(16)17-14-10-6-4-5-9-13(14)16/h2,5-6,9-11,15,17H,3-4,8,12H2,1H3/t7?,15?,16-/m1/s1
InChIKeyLJPVPDOYKAZUFS-DBKGUEDDSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene?
The IUPAC name of (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene (CID 139479473) is (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene.
What is the SMILES notation for (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene?
The canonical SMILES for (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene is C[C@]12CCCC=C=CC1NC1=C2C=CCC=C1.
What is the InChIKey of (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene?
The InChIKey is LJPVPDOYKAZUFS-DBKGUEDDSA-N. The full InChI is InChI=1S/C16H19N/c1-16-12-8-3-2-7-11-15(16)17-14-10-6-4-5-9-13(14)16/h2,5-6,9-11,15,17H,3-4,8,12H2,1H3/t7?,15?,16-/m1/s1.
What are the key properties of (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene?
(1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene has a molecular weight of 225.33 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-9-azatricyclo[8.6.0.02,8]hexadeca-2(8),3,6,11,12-pentaene is sourced from PubChem (CID 139479473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).