N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine

C13H22N2S — CID 106318742

IUPACN-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCc2ccsc2)C1
InChIInChI=1S/C13H22N2S/c1-13(10-14-2)5-7-15(11-13)6-3-12-4-8-16-9-12/h4,8-9,14H,3,5-7,10-11H2,1-2H3
InChIKeyCZYUAONBBORETC-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318742) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID106318742
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCc2ccsc2)C1
InChIInChI=1S/C13H22N2S/c1-13(10-14-2)5-7-15(11-13)6-3-12-4-8-16-9-12/h4,8-9,14H,3,5-7,10-11H2,1-2H3
InChIKeyCZYUAONBBORETC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
CID 106318811
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318622
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106318634
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine (CID 106318742) is N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCc2ccsc2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is CZYUAONBBORETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(10-14-2)5-7-15(11-13)6-3-12-4-8-16-9-12/h4,8-9,14H,3,5-7,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).