1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine

C17H22N2S — CID 43150704

IUPAC1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H22N2S/c1-14(17-8-5-11-20-17)18-16-9-10-19(13-16)12-15-6-3-2-4-7-15/h2-8,11,14,16,18H,9-10,12-13H2,1H3
InChIKeyNDHSFHULASGEAQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine

1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine (PubChem CID 43150704) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
PubChem CID43150704
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H22N2S/c1-14(17-8-5-11-20-17)18-16-9-10-19(13-16)12-15-6-3-2-4-7-15/h2-8,11,14,16,18H,9-10,12-13H2,1H3
InChIKeyNDHSFHULASGEAQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-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

1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
CID 104652483
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
CID 113223845
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine (CID 43150704) is 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine is CC(NC1CCN(Cc2ccccc2)C1)c1cccs1.
What is the InChIKey of 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine?
The InChIKey is NDHSFHULASGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14(17-8-5-11-20-17)18-16-9-10-19(13-16)12-15-6-3-2-4-7-15/h2-8,11,14,16,18H,9-10,12-13H2,1H3.
What are the key properties of 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine?
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine has a molecular weight of 286.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 43150704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).