1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione

C14H26N2O2 — CID 65301274

IUPAC1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCNC(CN1C(=O)CC(C)(C)C1=O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-7-15-10(13(2,3)4)9-16-11(17)8-14(5,6)12(16)18/h10,15H,7-9H2,1-6H3
InChIKeyLVRSUZKLQWZGED-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301274) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301274
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCNC(CN1C(=O)CC(C)(C)C1=O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-7-15-10(13(2,3)4)9-16-11(17)8-14(5,6)12(16)18/h10,15H,7-9H2,1-6H3
InChIKeyLVRSUZKLQWZGED-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301274) is 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione is CCNC(CN1C(=O)CC(C)(C)C1=O)C(C)(C)C.
What is the InChIKey of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is LVRSUZKLQWZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-15-10(13(2,3)4)9-16-11(17)8-14(5,6)12(16)18/h10,15H,7-9H2,1-6H3.
What are the key properties of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).