2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide

C11H23N3O — CID 62068647

IUPAC2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-4-6-13-11(15)9(2)14-7-5-10(12)8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyABGPEDYFYVHLTF-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds5

About 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide

2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide (PubChem CID 62068647) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
PubChem CID62068647
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-4-6-13-11(15)9(2)14-7-5-10(12)8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyABGPEDYFYVHLTF-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide 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

2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide (CID 62068647) is 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide is CCCCNC(=O)C(C)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide?
The InChIKey is ABGPEDYFYVHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-6-13-11(15)9(2)14-7-5-10(12)8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide?
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide is sourced from PubChem (CID 62068647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).