6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene

C16H19N — CID 142002529

IUPAC6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene
SMILESCC1=CC2=C(Cc3ccc(C)cc3CC2)NC1
InChIInChI=1S/C16H19N/c1-11-3-4-14-9-16-15(6-5-13(14)7-11)8-12(2)10-17-16/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyKOYCRZACVCVKND-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.29
Rot. Bonds

About 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene

6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene (PubChem CID 142002529) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene.

Molecular Properties

Compound Name6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene
PubChem CID142002529
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene
SMILESCC1=CC2=C(Cc3ccc(C)cc3CC2)NC1
InChIInChI=1S/C16H19N/c1-11-3-4-14-9-16-15(6-5-13(14)7-11)8-12(2)10-17-16/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyKOYCRZACVCVKND-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene?
The IUPAC name of 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene (CID 142002529) is 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene.
What is the SMILES notation for 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene?
The canonical SMILES for 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene is CC1=CC2=C(Cc3ccc(C)cc3CC2)NC1.
What is the InChIKey of 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene?
The InChIKey is KOYCRZACVCVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-3-4-14-9-16-15(6-5-13(14)7-11)8-12(2)10-17-16/h3-4,7-8,17H,5-6,9-10H2,1-2H3.
What are the key properties of 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene?
6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene has a molecular weight of 225.34 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene is sourced from PubChem (CID 142002529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).