5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene

C17H19N — CID 143010057

IUPAC5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
SMILESCC1C=Cc2c3c(n(C)c2C=C1)C=CC(C)C=C3
InChIInChI=1S/C17H19N/c1-12-4-8-14-15-9-5-13(2)7-11-17(15)18(3)16(14)10-6-12/h4-13H,1-3H3
InChIKeyKPXGKOKWJMXDMR-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.38
Rot. Bonds

About 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene

5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene (PubChem CID 143010057) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene.

Molecular Properties

Compound Name5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
PubChem CID143010057
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
SMILESCC1C=Cc2c3c(n(C)c2C=C1)C=CC(C)C=C3
InChIInChI=1S/C17H19N/c1-12-4-8-14-15-9-5-13(2)7-11-17(15)18(3)16(14)10-6-12/h4-13H,1-3H3
InChIKeyKPXGKOKWJMXDMR-UHFFFAOYSA-N
XLogP4.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144507325

Frequently Asked Questions

What is the IUPAC name of 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene?
The IUPAC name of 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene (CID 143010057) is 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene.
What is the SMILES notation for 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene?
The canonical SMILES for 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene is CC1C=Cc2c3c(n(C)c2C=C1)C=CC(C)C=C3.
What is the InChIKey of 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene?
The InChIKey is KPXGKOKWJMXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-4-8-14-15-9-5-13(2)7-11-17(15)18(3)16(14)10-6-12/h4-13H,1-3H3.
What are the key properties of 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene?
5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene has a molecular weight of 237.35 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene is sourced from PubChem (CID 143010057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).