6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione

C15H28N2O2 — CID 64902381

IUPAC6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
SMILESCCCC(C)CN1C(=O)C(C)(C)NC(=O)C1(C)CC
InChIInChI=1S/C15H28N2O2/c1-7-9-11(3)10-17-13(19)14(4,5)16-12(18)15(17,6)8-2/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyRJIGHWMLAGYYKD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds5

About 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione

6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione (PubChem CID 64902381) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
PubChem CID64902381
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
SMILESCCCC(C)CN1C(=O)C(C)(C)NC(=O)C1(C)CC
InChIInChI=1S/C15H28N2O2/c1-7-9-11(3)10-17-13(19)14(4,5)16-12(18)15(17,6)8-2/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyRJIGHWMLAGYYKD-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione (CID 64902381) is 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione is CCCC(C)CN1C(=O)C(C)(C)NC(=O)C1(C)CC.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione?
The InChIKey is RJIGHWMLAGYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-9-11(3)10-17-13(19)14(4,5)16-12(18)15(17,6)8-2/h11H,7-10H2,1-6H3,(H,16,18).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64902381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).