N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine

C12H20N2S — CID 60695335

IUPACN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCCN2CCCC2)c1
InChIInChI=1S/C12H20N2S/c1-2-9-14(8-1)10-7-13-6-5-12-4-3-11-15-12/h3-4,11,13H,1-2,5-10H2
InChIKeyINJGQGWXNXECIY-UHFFFAOYSA-N
MW224.37 g/mol
LogP1.98
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine

N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine (PubChem CID 60695335) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
PubChem CID60695335
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCCN2CCCC2)c1
InChIInChI=1S/C12H20N2S/c1-2-9-14(8-1)10-7-13-6-5-12-4-3-11-15-12/h3-4,11,13H,1-2,5-10H2
InChIKeyINJGQGWXNXECIY-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine (CID 60695335) is N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine is c1csc(CCNCCN2CCCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine?
The InChIKey is INJGQGWXNXECIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-9-14(8-1)10-7-13-6-5-12-4-3-11-15-12/h3-4,11,13H,1-2,5-10H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine?
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine has a molecular weight of 224.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 60695335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).