4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene

C15H21N — CID 70967003

IUPAC4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene
SMILESCCN1C=CCC2=CC3C(C)C(C=C21)C3C
InChIInChI=1S/C15H21N/c1-4-16-7-5-6-12-8-13-10(2)14(11(13)3)9-15(12)16/h5,7-11,13-14H,4,6H2,1-3H3
InChIKeyDSCXRUXEBAFEHL-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.57
Rot. Bonds1

About 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene

4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene (PubChem CID 70967003) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene.

Molecular Properties

Compound Name4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene
PubChem CID70967003
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene
SMILESCCN1C=CCC2=CC3C(C)C(C=C21)C3C
InChIInChI=1S/C15H21N/c1-4-16-7-5-6-12-8-13-10(2)14(11(13)3)9-15(12)16/h5,7-11,13-14H,4,6H2,1-3H3
InChIKeyDSCXRUXEBAFEHL-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene?
The IUPAC name of 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene (CID 70967003) is 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene.
What is the SMILES notation for 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene?
The canonical SMILES for 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene is CCN1C=CCC2=CC3C(C)C(C=C21)C3C.
What is the InChIKey of 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene?
The InChIKey is DSCXRUXEBAFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-16-7-5-6-12-8-13-10(2)14(11(13)3)9-15(12)16/h5,7-11,13-14H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene?
4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene has a molecular weight of 215.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-11,12-dimethyl-4-azatricyclo[8.1.1.03,8]dodeca-2,5,8-triene is sourced from PubChem (CID 70967003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).