4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene

C13H20N2 — CID 145493334

IUPAC4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1CCCNC2=C1C=CC(C)(C)C=N2
InChIInChI=1S/C13H20N2/c1-10-5-4-8-14-12-11(10)6-7-13(2,3)9-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyAMZBLTWVCFIXHA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.88
Rot. Bonds

About 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene

4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene (PubChem CID 145493334) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene.

Molecular Properties

Compound Name4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
PubChem CID145493334
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1CCCNC2=C1C=CC(C)(C)C=N2
InChIInChI=1S/C13H20N2/c1-10-5-4-8-14-12-11(10)6-7-13(2,3)9-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyAMZBLTWVCFIXHA-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The IUPAC name of 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene (CID 145493334) is 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene.
What is the SMILES notation for 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The canonical SMILES for 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene is CC1CCCNC2=C1C=CC(C)(C)C=N2.
What is the InChIKey of 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The InChIKey is AMZBLTWVCFIXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-5-4-8-14-12-11(10)6-7-13(2,3)9-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene has a molecular weight of 204.32 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene is sourced from PubChem (CID 145493334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).