2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one

C13H24N2O — CID 62314874

IUPAC2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNCC(CC1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c14-10-12(9-11-5-1-2-6-11)13(16)15-7-3-4-8-15/h11-12H,1-10,14H2
InChIKeyNPYRTAASWXAMMF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds4

About 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one

2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62314874) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62314874
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNCC(CC1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c14-10-12(9-11-5-1-2-6-11)13(16)15-7-3-4-8-15/h11-12H,1-10,14H2
InChIKeyNPYRTAASWXAMMF-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
CID 114281945
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one (CID 62314874) is 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one is NCC(CC1CCCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NPYRTAASWXAMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-10-12(9-11-5-1-2-6-11)13(16)15-7-3-4-8-15/h11-12H,1-10,14H2.
What are the key properties of 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62314874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).