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

C15H27N3O2 — CID 106617112

IUPAC1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)CN(CCN1C(=O)CCC1=O)CC1CCCN1
InChIInChI=1S/C15H27N3O2/c1-12(2)10-17(11-13-4-3-7-16-13)8-9-18-14(19)5-6-15(18)20/h12-13,16H,3-11H2,1-2H3
InChIKeyUUKISLFLIYXXSR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds7

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

1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 106617112) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
PubChem CID106617112
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)CN(CCN1C(=O)CCC1=O)CC1CCCN1
InChIInChI=1S/C15H27N3O2/c1-12(2)10-17(11-13-4-3-7-16-13)8-9-18-14(19)5-6-15(18)20/h12-13,16H,3-11H2,1-2H3
InChIKeyUUKISLFLIYXXSR-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106615759
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106618012
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617049

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione (CID 106617112) is 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione is CC(C)CN(CCN1C(=O)CCC1=O)CC1CCCN1.
What is the InChIKey of 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is UUKISLFLIYXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)10-17(11-13-4-3-7-16-13)8-9-18-14(19)5-6-15(18)20/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 106617112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).