4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione

C15H27N3O3 — CID 101279207

IUPAC4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione
SMILESCC1(C)CC(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-13(2)7-10(19)17-15(5,6)9-12(21)18-14(3,4)8-11(20)16-13/h7-9H2,1-6H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyRWYCYOROOMCOFR-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.85
Rot. Bonds

About 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione

4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione (PubChem CID 101279207) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione.

Molecular Properties

Compound Name4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione
PubChem CID101279207
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione
SMILESCC1(C)CC(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-13(2)7-10(19)17-15(5,6)9-12(21)18-14(3,4)8-11(20)16-13/h7-9H2,1-6H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyRWYCYOROOMCOFR-UHFFFAOYSA-N
XLogP0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione with MolForge

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

Launch Full Analysis

Related Compounds

Butanamide, N-(1,1-dimethylethyl)-3,3-dimethyl-
CID 547107
N-tert-butyl-2-methylbutanamide
CID 3512220
N-tert-butylbutanamide
CID 221967
Butanamide, N-tert.-butyl-3-methyl
CID 528609
N-t-butyl-2,2-dimethylbutyramide
CID 3512219
N-t-butylmalonamide
CID 21081814
N,N'-ditert-butylpropanediamide
CID 21121557
3-Methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide
CID 104579564
3-Methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 104583861
3-[(2,2-Difluoroacetyl)amino]-3-methylbutanamide
CID 107168222
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide
CID 114142896
3-Methyl-3-(2,2,3,3,3-pentafluoropropanoylamino)butanamide
CID 114143204

Frequently Asked Questions

What is the IUPAC name of 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione?
The IUPAC name of 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione (CID 101279207) is 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione.
What is the SMILES notation for 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione?
The canonical SMILES for 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione is CC1(C)CC(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)N1.
What is the InChIKey of 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione?
The InChIKey is RWYCYOROOMCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13(2)7-10(19)17-15(5,6)9-12(21)18-14(3,4)8-11(20)16-13/h7-9H2,1-6H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione?
4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione has a molecular weight of 297.40 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8,12,12-hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione is sourced from PubChem (CID 101279207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).