3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C14H20N2 — CID 118055305

IUPAC3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CNCc2cccc3c2N1CC3(C)C
InChIInChI=1S/C14H20N2/c1-10-7-15-8-11-5-4-6-12-13(11)16(10)9-14(12,2)3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyYQQYAFHYPOOXII-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.28
Rot. Bonds

About 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055305) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055305
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CNCc2cccc3c2N1CC3(C)C
InChIInChI=1S/C14H20N2/c1-10-7-15-8-11-5-4-6-12-13(11)16(10)9-14(12,2)3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyYQQYAFHYPOOXII-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-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 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055305) is 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CC1CNCc2cccc3c2N1CC3(C)C.
What is the InChIKey of 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is YQQYAFHYPOOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-7-15-8-11-5-4-6-12-13(11)16(10)9-14(12,2)3/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 216.33 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,12-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).