N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

C13H25N3O — CID 62325407

IUPACN-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1CCCC1C1CCCN1
InChIInChI=1S/C13H25N3O/c1-2-14-13(17)7-10-16-9-4-6-12(16)11-5-3-8-15-11/h11-12,15H,2-10H2,1H3,(H,14,17)
InChIKeyYGOFDDZDHCUKKE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds5

About N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (PubChem CID 62325407) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
PubChem CID62325407
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1CCCC1C1CCCN1
InChIInChI=1S/C13H25N3O/c1-2-14-13(17)7-10-16-9-4-6-12(16)11-5-3-8-15-11/h11-12,15H,2-10H2,1H3,(H,14,17)
InChIKeyYGOFDDZDHCUKKE-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273739
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273730
N,N-diethyl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)butanamide
CID 63256599
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen
CID 156885487
1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62275280
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (CID 62325407) is N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is CCNC(=O)CCN1CCCC1C1CCCN1.
What is the InChIKey of N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The InChIKey is YGOFDDZDHCUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-14-13(17)7-10-16-9-4-6-12(16)11-5-3-8-15-11/h11-12,15H,2-10H2,1H3,(H,14,17).
What are the key properties of N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62325407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).