4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane

C14H23N3 — CID 142296040

IUPAC4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane
SMILESCC.CC1CC=C2C=NC(C)(N)C=NC2=CC1
InChIInChI=1S/C12H17N3.C2H6/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9;1-2/h5-9H,3-4,13H2,1-2H3;1-2H3
InChIKeyCVZCLWQPAOODBE-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.08
Rot. Bonds

About 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane

4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane (PubChem CID 142296040) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane.

Molecular Properties

Compound Name4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane
PubChem CID142296040
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane
SMILESCC.CC1CC=C2C=NC(C)(N)C=NC2=CC1
InChIInChI=1S/C12H17N3.C2H6/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9;1-2/h5-9H,3-4,13H2,1-2H3;1-2H3
InChIKeyCVZCLWQPAOODBE-UHFFFAOYSA-N
XLogP3.08
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;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 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane?
The IUPAC name of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane (CID 142296040) is 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane.
What is the SMILES notation for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane?
The canonical SMILES for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane is CC.CC1CC=C2C=NC(C)(N)C=NC2=CC1.
What is the InChIKey of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane?
The InChIKey is CVZCLWQPAOODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9;1-2/h5-9H,3-4,13H2,1-2H3;1-2H3.
What are the key properties of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane?
4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane has a molecular weight of 233.36 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane is sourced from PubChem (CID 142296040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).