2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide

C14H29N3O — CID 55243556

IUPAC2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C14H29N3O/c1-4-16(5-2)14(18)12(3)17-11-7-9-13(17)8-6-10-15/h12-13H,4-11,15H2,1-3H3
InChIKeySOJATEPJKWATIM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide (PubChem CID 55243556) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
PubChem CID55243556
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C14H29N3O/c1-4-16(5-2)14(18)12(3)17-11-7-9-13(17)8-6-10-15/h12-13H,4-11,15H2,1-3H3
InChIKeySOJATEPJKWATIM-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
CID 103352994
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
N,N-diethyl-2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63855212
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]propanamide
CID 79546990
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide (CID 55243556) is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CCCC1CCCN.
What is the InChIKey of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide?
The InChIKey is SOJATEPJKWATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-16(5-2)14(18)12(3)17-11-7-9-13(17)8-6-10-15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide?
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 55243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).