3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione

C15H26N2O2 — CID 43653792

IUPAC3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2CCC(NC)CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-15(5-2)10-13(18)17(14(15)19)12-8-6-11(16-3)7-9-12/h11-12,16H,4-10H2,1-3H3
InChIKeyCTLOVLNFMUVVKJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds4

About 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 43653792) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID43653792
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2CCC(NC)CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-15(5-2)10-13(18)17(14(15)19)12-8-6-11(16-3)7-9-12/h11-12,16H,4-10H2,1-3H3
InChIKeyCTLOVLNFMUVVKJ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
CID 79110425
3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 113308801
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
CID 66212149
4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
CID 79873810
1-[4-(ethylamino)cyclohexyl]piperidine-2,6-dione
CID 43653811
3-methyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
CID 79110657
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 57148925
1-[4-(propylamino)cyclohexyl]piperidine-2,6-dione
CID 43653820
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)pentanenitrile
CID 54904839
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carbothioamide
CID 61124712

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione (CID 43653792) is 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2CCC(NC)CC2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is CTLOVLNFMUVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-15(5-2)10-13(18)17(14(15)19)12-8-6-11(16-3)7-9-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43653792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).