2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

C16H24N2O — CID 65226010

IUPAC2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-7-14(12-17)16(19)18-11-6-10-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12,17H2,1H3
InChIKeyNWNIRUKUKSJRJL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (PubChem CID 65226010) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
PubChem CID65226010
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-7-14(12-17)16(19)18-11-6-10-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12,17H2,1H3
InChIKeyNWNIRUKUKSJRJL-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
2-(aminomethyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 65227296
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 84515128
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (CID 65226010) is 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is CCCC(CN)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is NWNIRUKUKSJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-7-14(12-17)16(19)18-11-6-10-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12,17H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 65226010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).