1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione

C13H22N2O2 — CID 43653818

IUPAC1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCCNC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H22N2O2/c1-2-9-14-10-3-5-11(6-4-10)15-12(16)7-8-13(15)17/h10-11,14H,2-9H2,1H3
InChIKeyZACKYJPDMLMDAK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds4

About 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione

1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 43653818) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID43653818
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCCNC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H22N2O2/c1-2-9-14-10-3-5-11(6-4-10)15-12(16)7-8-13(15)17/h10-11,14H,2-9H2,1H3
InChIKeyZACKYJPDMLMDAK-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
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-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
1-[4-(ethylamino)cyclohexyl]piperidine-2,6-dione
CID 43653811
6-[4-(propylamino)cyclohexyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60997651
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
CID 62793221
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 43653701
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
6-[4-(propylamino)cyclohexyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 114763512
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79686955
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione (CID 43653818) is 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione is CCCNC1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is ZACKYJPDMLMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-9-14-10-3-5-11(6-4-10)15-12(16)7-8-13(15)17/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43653818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).