4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione

C12H23N3O2 — CID 66075709

IUPAC4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(C)(CN)CCN1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,8-13)5-6-15-7-9(16)14-10(17)12(15,3)4/h5-8,13H2,1-4H3,(H,14,16,17)
InChIKeyQTUCUEMUVFOKNH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

About 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione

4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075709) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075709
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(C)(CN)CCN1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,8-13)5-6-15-7-9(16)14-10(17)12(15,3)4/h5-8,13H2,1-4H3,(H,14,16,17)
InChIKeyQTUCUEMUVFOKNH-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 66076098
4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 107390973
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
CID 106708160
4-[2-(ethylamino)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66073599
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
CID 66075534
4-[[3-(aminomethyl)phenyl]methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075711
1-(4-amino-3,3-dimethylbutyl)-5,5-dimethylazepan-2-one
CID 65286653
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
CID 106707878
3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66076498
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-methylpropanoic acid
CID 66073616
2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]prop-2-enoic acid
CID 66075748

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione (CID 66075709) is 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione is CC(C)(CN)CCN1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is QTUCUEMUVFOKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,8-13)5-6-15-7-9(16)14-10(17)12(15,3)4/h5-8,13H2,1-4H3,(H,14,16,17).
What are the key properties of 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).