2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide

C11H23N3O — CID 114802683

IUPAC2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCC(CCN)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)9(2)14-7-5-10(8-14)4-6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNCPZZODDLNJWLZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds5

About 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide (PubChem CID 114802683) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
PubChem CID114802683
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCC(CCN)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)9(2)14-7-5-10(8-14)4-6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNCPZZODDLNJWLZ-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
N-ethyl-2-(3-methylpyrrolidin-1-yl)propanamide
CID 130606422
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide (CID 114802683) is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)N1CCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The InChIKey is NCPZZODDLNJWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-11(15)9(2)14-7-5-10(8-14)4-6-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide?
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 114802683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).