2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one

C13H25N3O — CID 63168547

IUPAC2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-11(9-14)13(17)16-8-5-12(10-16)15-6-3-4-7-15/h11-12H,2-10,14H2,1H3
InChIKeyVUCKNFFUUUUKNE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds4

About 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one

2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 63168547) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
PubChem CID63168547
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-11(9-14)13(17)16-8-5-12(10-16)15-6-3-4-7-15/h11-12H,2-10,14H2,1H3
InChIKeyVUCKNFFUUUUKNE-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
2-(aminomethyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4,4-dimethylpentan-1-one
CID 107471575
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
CID 63514286
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one (CID 63168547) is 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one is CCC(CN)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is VUCKNFFUUUUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-11(9-14)13(17)16-8-5-12(10-16)15-6-3-4-7-15/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one?
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 63168547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).