N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine

C15H27N3S — CID 62574291

IUPACN-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCCCN1CCN(CCNCCc2ccsc2)CC1
InChIInChI=1S/C15H27N3S/c1-2-7-17-9-11-18(12-10-17)8-6-16-5-3-15-4-13-19-14-15/h4,13-14,16H,2-3,5-12H2,1H3
InChIKeyUZVNVSCAPNRFIY-UHFFFAOYSA-N
MW281.47 g/mol
LogP1.91
Rot. Bonds8

About N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 62574291) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID62574291
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCCCN1CCN(CCNCCc2ccsc2)CC1
InChIInChI=1S/C15H27N3S/c1-2-7-17-9-11-18(12-10-17)8-6-16-5-3-15-4-13-19-14-15/h4,13-14,16H,2-3,5-12H2,1H3
InChIKeyUZVNVSCAPNRFIY-UHFFFAOYSA-N
XLogP1.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-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-3-ylethanamine
CID 65286725
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 62574291) is N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine is CCCN1CCN(CCNCCc2ccsc2)CC1.
What is the InChIKey of N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is UZVNVSCAPNRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-2-7-17-9-11-18(12-10-17)8-6-16-5-3-15-4-13-19-14-15/h4,13-14,16H,2-3,5-12H2,1H3.
What are the key properties of N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 281.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62574291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).