2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one

C13H25N3O — CID 63167118

IUPAC2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-6-11(10-16)15-7-3-4-8-15/h11-12H,2-10,14H2,1H3
InChIKeyHIUVRCMQLZLMNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds4

About 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one

2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 63167118) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID63167118
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-6-11(10-16)15-7-3-4-8-15/h11-12H,2-10,14H2,1H3
InChIKeyHIUVRCMQLZLMNT-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one 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

(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
CID 93371854
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one (CID 63167118) is 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is HIUVRCMQLZLMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-6-11(10-16)15-7-3-4-8-15/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 63167118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).