3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane

C16H28N2 — CID 142092732

IUPAC3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane
SMILESCC.CC.CC1=NC2=C(CC=CC=C2)NC(C)C1
InChIInChI=1S/C12H16N2.2C2H6/c1-9-8-10(2)14-12-7-5-3-4-6-11(12)13-9;2*1-2/h3-6,10,14H,7-8H2,1-2H3;2*1-2H3
InChIKeyPLVWYZKBRSCOQE-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.61
Rot. Bonds

About 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane

3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane (PubChem CID 142092732) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane.

Molecular Properties

Compound Name3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane
PubChem CID142092732
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane
SMILESCC.CC.CC1=NC2=C(CC=CC=C2)NC(C)C1
InChIInChI=1S/C12H16N2.2C2H6/c1-9-8-10(2)14-12-7-5-3-4-6-11(12)13-9;2*1-2/h3-6,10,14H,7-8H2,1-2H3;2*1-2H3
InChIKeyPLVWYZKBRSCOQE-UHFFFAOYSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane?
The IUPAC name of 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane (CID 142092732) is 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane.
What is the SMILES notation for 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane?
The canonical SMILES for 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane is CC.CC.CC1=NC2=C(CC=CC=C2)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane?
The InChIKey is PLVWYZKBRSCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2C2H6/c1-9-8-10(2)14-12-7-5-3-4-6-11(12)13-9;2*1-2/h3-6,10,14H,7-8H2,1-2H3;2*1-2H3.
What are the key properties of 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane?
3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane has a molecular weight of 248.41 g/mol, XLogP of 4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane is sourced from PubChem (CID 142092732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).