3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C13H18N2 — CID 118055195

IUPAC3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1C(C)CN3CCNC2
InChIInChI=1S/C13H18N2/c1-9-3-4-11-7-14-5-6-15-8-10(2)12(9)13(11)15/h3-4,10,14H,5-8H2,1-2H3
InChIKeyMOBZMLUSNDWIQT-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.02
Rot. Bonds

About 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055195) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055195
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1C(C)CN3CCNC2
InChIInChI=1S/C13H18N2/c1-9-3-4-11-7-14-5-6-15-8-10(2)12(9)13(11)15/h3-4,10,14H,5-8H2,1-2H3
InChIKeyMOBZMLUSNDWIQT-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055195) is 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is Cc1ccc2c3c1C(C)CN3CCNC2.
What is the InChIKey of 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is MOBZMLUSNDWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-3-4-11-7-14-5-6-15-8-10(2)12(9)13(11)15/h3-4,10,14H,5-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 202.30 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).