6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

C14H16N2 — CID 56616840

IUPAC6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESCC1=CC=CC2=C3C=CC=C(C)N3CCN12
InChIInChI=1S/C14H16N2/c1-11-5-3-7-13-14-8-4-6-12(2)16(14)10-9-15(11)13/h3-8H,9-10H2,1-2H3
InChIKeyUMAHOANTGRAMGS-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.76
Rot. Bonds

About 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (PubChem CID 56616840) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.

Molecular Properties

Compound Name6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
PubChem CID56616840
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESCC1=CC=CC2=C3C=CC=C(C)N3CCN12
InChIInChI=1S/C14H16N2/c1-11-5-3-7-13-14-8-4-6-12(2)16(14)10-9-15(11)13/h3-8H,9-10H2,1-2H3
InChIKeyUMAHOANTGRAMGS-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The IUPAC name of 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (CID 56616840) is 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.
What is the SMILES notation for 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The canonical SMILES for 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is CC1=CC=CC2=C3C=CC=C(C)N3CCN12.
What is the InChIKey of 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The InChIKey is UMAHOANTGRAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-5-3-7-13-14-8-4-6-12(2)16(14)10-9-15(11)13/h3-8H,9-10H2,1-2H3.
What are the key properties of 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene has a molecular weight of 212.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is sourced from PubChem (CID 56616840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).