1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione

C14H26N2O2 — CID 106708431

IUPAC1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C)(CN)CCCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-13(2,10-15)7-5-6-8-16-11(17)9-14(3,4)12(16)18/h5-10,15H2,1-4H3
InChIKeyZWOVKLVZLHIJBF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.93
Rot. Bonds6

About 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 106708431) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID106708431
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C)(CN)CCCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-13(2,10-15)7-5-6-8-16-11(17)9-14(3,4)12(16)18/h5-10,15H2,1-4H3
InChIKeyZWOVKLVZLHIJBF-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 106708431) is 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione is CC(C)(CN)CCCCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is ZWOVKLVZLHIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,10-15)7-5-6-8-16-11(17)9-14(3,4)12(16)18/h5-10,15H2,1-4H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).