4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione

C15H28N4O2 — CID 10424666

IUPAC4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
SMILESCN1CCN2CCN(C)CCN(CC1)C(=O)CCCC2=O
InChIInChI=1S/C15H28N4O2/c1-16-6-10-18-12-8-17(2)9-13-19(11-7-16)15(21)5-3-4-14(18)20/h3-13H2,1-2H3
InChIKeyXFWLTDSYDKTNRB-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.30
Rot. Bonds

About 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione

4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione (PubChem CID 10424666) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione.

Molecular Properties

Compound Name4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
PubChem CID10424666
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
SMILESCN1CCN2CCN(C)CCN(CC1)C(=O)CCCC2=O
InChIInChI=1S/C15H28N4O2/c1-16-6-10-18-12-8-17(2)9-13-19(11-7-16)15(21)5-3-4-14(18)20/h3-13H2,1-2H3
InChIKeyXFWLTDSYDKTNRB-UHFFFAOYSA-N
XLogP-0.30
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione 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-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione?
The IUPAC name of 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione (CID 10424666) is 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione.
What is the SMILES notation for 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione?
The canonical SMILES for 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione is CN1CCN2CCN(C)CCN(CC1)C(=O)CCCC2=O.
What is the InChIKey of 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione?
The InChIKey is XFWLTDSYDKTNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-16-6-10-18-12-8-17(2)9-13-19(11-7-16)15(21)5-3-4-14(18)20/h3-13H2,1-2H3.
What are the key properties of 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione?
4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione has a molecular weight of 296.41 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione is sourced from PubChem (CID 10424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).