1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C16H23N3S — CID 63165928

IUPAC1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2csc3ccccc23)C1
InChIInChI=1S/C16H23N3S/c1-18(2)12-7-8-19(10-12)15(9-17)14-11-20-16-6-4-3-5-13(14)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyXTNRSOSTRHLSEB-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63165928) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63165928
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2csc3ccccc23)C1
InChIInChI=1S/C16H23N3S/c1-18(2)12-7-8-19(10-12)15(9-17)14-11-20-16-6-4-3-5-13(14)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyXTNRSOSTRHLSEB-UHFFFAOYSA-N
XLogP2.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine 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-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 62698680
2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 62699247
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 82752189
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78991737
3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
CID 91516670

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63165928) is 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C(CN)c2csc3ccccc23)C1.
What is the InChIKey of 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XTNRSOSTRHLSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-18(2)12-7-8-19(10-12)15(9-17)14-11-20-16-6-4-3-5-13(14)16/h3-6,11-12,15H,7-10,17H2,1-2H3.
What are the key properties of 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 289.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63165928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).