N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

C13H22N2S — CID 83073731

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCC1(CN(C)Cc2cccs2)CCCN1
InChIInChI=1S/C13H22N2S/c1-3-13(7-5-8-14-13)11-15(2)10-12-6-4-9-16-12/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3
InChIKeyQDAQWYCONRLEHG-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds5

About N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 83073731) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID83073731
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCC1(CN(C)Cc2cccs2)CCCN1
InChIInChI=1S/C13H22N2S/c1-3-13(7-5-8-14-13)11-15(2)10-12-6-4-9-16-12/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3
InChIKeyQDAQWYCONRLEHG-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073589
1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83074259
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83074139
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277733
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 83073731) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is CCC1(CN(C)Cc2cccs2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is QDAQWYCONRLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-13(7-5-8-14-13)11-15(2)10-12-6-4-9-16-12/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 83073731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).