2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C15H21N — CID 58908137

IUPAC2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC1CC(C)(C)N2CCCc3cccc1c32
InChIInChI=1S/C15H21N/c1-11-10-15(2,3)16-9-5-7-12-6-4-8-13(11)14(12)16/h4,6,8,11H,5,7,9-10H2,1-3H3
InChIKeyWGPVJTUHDFVREU-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.72
Rot. Bonds

About 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 58908137) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID58908137
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC1CC(C)(C)N2CCCc3cccc1c32
InChIInChI=1S/C15H21N/c1-11-10-15(2,3)16-9-5-7-12-6-4-8-13(11)14(12)16/h4,6,8,11H,5,7,9-10H2,1-3H3
InChIKeyWGPVJTUHDFVREU-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 58908137) is 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is CC1CC(C)(C)N2CCCc3cccc1c32.
What is the InChIKey of 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is WGPVJTUHDFVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-10-15(2,3)16-9-5-7-12-6-4-8-13(11)14(12)16/h4,6,8,11H,5,7,9-10H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 215.34 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 58908137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).