1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione

C15H26N2O2 — CID 43638288

IUPAC1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCC2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)17-14(18)9-13(15(17)19)16-10-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3
InChIKeyRYSNGCWIYVNKLX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds5

About 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione (PubChem CID 43638288) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
PubChem CID43638288
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCC2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)17-14(18)9-13(15(17)19)16-10-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3
InChIKeyRYSNGCWIYVNKLX-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
CID 63827659
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 61366170
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
tert-butyl N-[3-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
CID 104932994

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione (CID 43638288) is 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCC2CCCCC2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is RYSNGCWIYVNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)17-14(18)9-13(15(17)19)16-10-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).