4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

C14H16N2 — CID 114933796

IUPAC4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESCc1cc(C)n2c3c(nc2c1)C1CCC3C1
InChIInChI=1S/C14H16N2/c1-8-5-9(2)16-12(6-8)15-13-10-3-4-11(7-10)14(13)16/h5-6,10-11H,3-4,7H2,1-2H3
InChIKeyKQTFKYVEMCEWGJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.32
Rot. Bonds

About 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (PubChem CID 114933796) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
PubChem CID114933796
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESCc1cc(C)n2c3c(nc2c1)C1CCC3C1
InChIInChI=1S/C14H16N2/c1-8-5-9(2)16-12(6-8)15-13-10-3-4-11(7-10)14(13)16/h5-6,10-11H,3-4,7H2,1-2H3
InChIKeyKQTFKYVEMCEWGJ-UHFFFAOYSA-N
XLogP3.32
TPSA17.30 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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The IUPAC name of 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (CID 114933796) is 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The canonical SMILES for 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is Cc1cc(C)n2c3c(nc2c1)C1CCC3C1.
What is the InChIKey of 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The InChIKey is KQTFKYVEMCEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-8-5-9(2)16-12(6-8)15-13-10-3-4-11(7-10)14(13)16/h5-6,10-11H,3-4,7H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene has a molecular weight of 212.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 114933796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).