1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione

C14H25N3O2 — CID 106615759

IUPAC1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCCN(CCN1C(=O)CCC1=O)CC1CCCN1
InChIInChI=1S/C14H25N3O2/c1-2-8-16(11-12-4-3-7-15-12)9-10-17-13(18)5-6-14(17)19/h12,15H,2-11H2,1H3
InChIKeyMWJOLCWUEBHXFF-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.60
Rot. Bonds7

About 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione

1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 106615759) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
PubChem CID106615759
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCCN(CCN1C(=O)CCC1=O)CC1CCCN1
InChIInChI=1S/C14H25N3O2/c1-2-8-16(11-12-4-3-7-15-12)9-10-17-13(18)5-6-14(17)19/h12,15H,2-11H2,1H3
InChIKeyMWJOLCWUEBHXFF-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106617112
5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106618012
1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
CID 106615823
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 106615787
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
1-[2-[piperidin-2-ylmethyl(propyl)amino]acetyl]pyrrolidin-2-one
CID 106635944
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137

Frequently Asked Questions

What is the IUPAC name of 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione (CID 106615759) is 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione is CCCN(CCN1C(=O)CCC1=O)CC1CCCN1.
What is the InChIKey of 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is MWJOLCWUEBHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-8-16(11-12-4-3-7-15-12)9-10-17-13(18)5-6-14(17)19/h12,15H,2-11H2,1H3.
What are the key properties of 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 106615759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).