1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one

C17H26N2O — CID 104511396

IUPAC1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(N)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-4-5-14-9-17(20)19(10-14)11-16(18)15-7-6-12(2)13(3)8-15/h6-8,14,16H,4-5,9-11,18H2,1-3H3
InChIKeySNZOSAKPPOWOEV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one

1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one (PubChem CID 104511396) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one
PubChem CID104511396
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(N)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-4-5-14-9-17(20)19(10-14)11-16(18)15-7-6-12(2)13(3)8-15/h6-8,14,16H,4-5,9-11,18H2,1-3H3
InChIKeySNZOSAKPPOWOEV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512576
1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
CID 107523045
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512578
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512586
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377
1-[2-amino-2-(4-ethylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63104245
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510823
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one (CID 104511396) is 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(N)c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one?
The InChIKey is SNZOSAKPPOWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-14-9-17(20)19(10-14)11-16(18)15-7-6-12(2)13(3)8-15/h6-8,14,16H,4-5,9-11,18H2,1-3H3.
What are the key properties of 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one?
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104511396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).