N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine

C15H26N2S — CID 62575431

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCCC1CCCCN1CCNCCc1cccs1
InChIInChI=1S/C15H26N2S/c1-2-14-6-3-4-11-17(14)12-10-16-9-8-15-7-5-13-18-15/h5,7,13-14,16H,2-4,6,8-12H2,1H3
InChIKeyZIXSPIJCQJPWTG-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62575431) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62575431
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCCC1CCCCN1CCNCCc1cccs1
InChIInChI=1S/C15H26N2S/c1-2-14-6-3-4-11-17(14)12-10-16-9-8-15-7-5-13-18-15/h5,7,13-14,16H,2-4,6,8-12H2,1H3
InChIKeyZIXSPIJCQJPWTG-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79312516
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 63775037
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
CID 62575589
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine (CID 62575431) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine is CCC1CCCCN1CCNCCc1cccs1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is ZIXSPIJCQJPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-2-14-6-3-4-11-17(14)12-10-16-9-8-15-7-5-13-18-15/h5,7,13-14,16H,2-4,6,8-12H2,1H3.
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 266.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62575431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).