2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one

C17H26N2O — CID 119316545

IUPAC2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC1Cc1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19-11-4-6-15(19)12-14-9-7-13(2)8-10-14/h7-10,15-16H,3-6,11-12,18H2,1-2H3
InChIKeySHPZSIXPFXFTHD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one

2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one (PubChem CID 119316545) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
PubChem CID119316545
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC1Cc1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19-11-4-6-15(19)12-14-9-7-13(2)8-10-14/h7-10,15-16H,3-6,11-12,18H2,1-2H3
InChIKeySHPZSIXPFXFTHD-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-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

2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-[2-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 136525446
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
1-[(3S)-3-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95341284
5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 84589154
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 119314467

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one (CID 119316545) is 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCCC1Cc1ccc(C)cc1.
What is the InChIKey of 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one?
The InChIKey is SHPZSIXPFXFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19-11-4-6-15(19)12-14-9-7-13(2)8-10-14/h7-10,15-16H,3-6,11-12,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one?
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 119316545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).