1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione

C15H26N2O2 — CID 104747098

IUPAC1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CCC1=O)C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-10-16-13(12-6-4-3-5-7-12)11-17-14(18)8-9-15(17)19/h12-13,16H,2-11H2,1H3
InChIKeyVCZGCCSTKVQSNT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds6

About 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione

1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 104747098) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID104747098
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CCC1=O)C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-10-16-13(12-6-4-3-5-7-12)11-17-14(18)8-9-15(17)19/h12-13,16H,2-11H2,1H3
InChIKeyVCZGCCSTKVQSNT-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
1-[2-cyclohexyl-2-(ethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
CID 104747634
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
CID 104746918
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione (CID 104747098) is 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione is CCCNC(CN1C(=O)CCC1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is VCZGCCSTKVQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-10-16-13(12-6-4-3-5-7-12)11-17-14(18)8-9-15(17)19/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 104747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).