N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine

C13H22N2S — CID 106615069

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
SMILESCCN(CCc1ccsc1)CC1CCCN1
InChIInChI=1S/C13H22N2S/c1-2-15(10-13-4-3-7-14-13)8-5-12-6-9-16-11-12/h6,9,11,13-14H,2-5,7-8,10H2,1H3
InChIKeyYNCNPVZRMXNYBT-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.36
Rot. Bonds6

About N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine

N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine (PubChem CID 106615069) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
PubChem CID106615069
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
SMILESCCN(CCc1ccsc1)CC1CCCN1
InChIInChI=1S/C13H22N2S/c1-2-15(10-13-4-3-7-14-13)8-5-12-6-9-16-11-12/h6,9,11,13-14H,2-5,7-8,10H2,1H3
InChIKeyYNCNPVZRMXNYBT-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
N'-(cyclopropylmethyl)-N'-ethyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 63940286
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615024
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine (CID 106615069) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine is CCN(CCc1ccsc1)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine?
The InChIKey is YNCNPVZRMXNYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-15(10-13-4-3-7-14-13)8-5-12-6-9-16-11-12/h6,9,11,13-14H,2-5,7-8,10H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106615069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).