2,4-diazatricyclo[6.4.1.04,13]tridecane

C11H20N2 — CID 166949763

IUPAC2,4-diazatricyclo[6.4.1.04,13]tridecane
SMILESC1CCC2NCN3CCCC(C1)C23
InChIInChI=1S/C11H20N2/c1-2-6-10-11-9(4-1)5-3-7-13(11)8-12-10/h9-12H,1-8H2
InChIKeyXKROHNNEHMMOHV-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.57
Rot. Bonds

About 2,4-diazatricyclo[6.4.1.04,13]tridecane

2,4-diazatricyclo[6.4.1.04,13]tridecane (PubChem CID 166949763) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,4-diazatricyclo[6.4.1.04,13]tridecane.

Molecular Properties

Compound Name2,4-diazatricyclo[6.4.1.04,13]tridecane
PubChem CID166949763
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,4-diazatricyclo[6.4.1.04,13]tridecane
SMILESC1CCC2NCN3CCCC(C1)C23
InChIInChI=1S/C11H20N2/c1-2-6-10-11-9(4-1)5-3-7-13(11)8-12-10/h9-12H,1-8H2
InChIKeyXKROHNNEHMMOHV-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-diazatricyclo[6.4.1.04,13]tridecane 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 2,4-diazatricyclo[6.4.1.04,13]tridecane?
The IUPAC name of 2,4-diazatricyclo[6.4.1.04,13]tridecane (CID 166949763) is 2,4-diazatricyclo[6.4.1.04,13]tridecane.
What is the SMILES notation for 2,4-diazatricyclo[6.4.1.04,13]tridecane?
The canonical SMILES for 2,4-diazatricyclo[6.4.1.04,13]tridecane is C1CCC2NCN3CCCC(C1)C23.
What is the InChIKey of 2,4-diazatricyclo[6.4.1.04,13]tridecane?
The InChIKey is XKROHNNEHMMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-6-10-11-9(4-1)5-3-7-13(11)8-12-10/h9-12H,1-8H2.
What are the key properties of 2,4-diazatricyclo[6.4.1.04,13]tridecane?
2,4-diazatricyclo[6.4.1.04,13]tridecane has a molecular weight of 180.29 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazatricyclo[6.4.1.04,13]tridecane is sourced from PubChem (CID 166949763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).