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

C15H26N2S — CID 62575266

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCCC1CCCCN1CCNCCc1ccsc1
InChIInChI=1S/C15H26N2S/c1-2-15-5-3-4-10-17(15)11-9-16-8-6-14-7-12-18-13-14/h7,12-13,15-16H,2-6,8-11H2,1H3
InChIKeyLRRVQJYSDRSMHP-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.14
Rot. Bonds7

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

N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 62575266) 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-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID62575266
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCCC1CCCCN1CCNCCc1ccsc1
InChIInChI=1S/C15H26N2S/c1-2-15-5-3-4-10-17(15)11-9-16-8-6-14-7-12-18-13-14/h7,12-13,15-16H,2-6,8-11H2,1H3
InChIKeyLRRVQJYSDRSMHP-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-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
CID 62575589
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62575422
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62575268
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 62575266) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine is CCC1CCCCN1CCNCCc1ccsc1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is LRRVQJYSDRSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-2-15-5-3-4-10-17(15)11-9-16-8-6-14-7-12-18-13-14/h7,12-13,15-16H,2-6,8-11H2,1H3.
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-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-3-ylethanamine is sourced from PubChem (CID 62575266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).