2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine

C12H20N2S — CID 115287909

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
SMILESCC1CN(CC(N)c2cccs2)CC1C
InChIInChI=1S/C12H20N2S/c1-9-6-14(7-10(9)2)8-11(13)12-4-3-5-15-12/h3-5,9-11H,6-8,13H2,1-2H3
InChIKeyHIUIJUDZHXVMEE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.34
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 115287909) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
PubChem CID115287909
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
SMILESCC1CN(CC(N)c2cccs2)CC1C
InChIInChI=1S/C12H20N2S/c1-9-6-14(7-10(9)2)8-11(13)12-4-3-5-15-12/h3-5,9-11H,6-8,13H2,1-2H3
InChIKeyHIUIJUDZHXVMEE-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine (CID 115287909) is 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine is CC1CN(CC(N)c2cccs2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is HIUIJUDZHXVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-6-14(7-10(9)2)8-11(13)12-4-3-5-15-12/h3-5,9-11H,6-8,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115287909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).