3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C14H20N2 — CID 123666070

IUPAC3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CN2CC(C)(C)c3cccc(c32)CN1
InChIInChI=1S/C14H20N2/c1-10-8-16-9-14(2,3)12-6-4-5-11(7-15-10)13(12)16/h4-6,10,15H,7-9H2,1-3H3
InChIKeyJHDOBWGFBFDSFC-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.28
Rot. Bonds

About 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 123666070) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID123666070
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CN2CC(C)(C)c3cccc(c32)CN1
InChIInChI=1S/C14H20N2/c1-10-8-16-9-14(2,3)12-6-4-5-11(7-15-10)13(12)16/h4-6,10,15H,7-9H2,1-3H3
InChIKeyJHDOBWGFBFDSFC-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

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Frequently Asked Questions

What is the IUPAC name of 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 123666070) is 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CC1CN2CC(C)(C)c3cccc(c32)CN1.
What is the InChIKey of 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is JHDOBWGFBFDSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-8-16-9-14(2,3)12-6-4-5-11(7-15-10)13(12)16/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3,3,11-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 3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 123666070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).