2-(2-methyl-3H-thiophen-2-yl)ethanamine

C7H13NS — CID 68810050

IUPAC2-(2-methyl-3H-thiophen-2-yl)ethanamine
SMILESCC1(CCN)CC=CS1
InChIInChI=1S/C7H13NS/c1-7(4-5-8)3-2-6-9-7/h2,6H,3-5,8H2,1H3
InChIKeyJYPMYLMBWLLCAG-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.74
Rot. Bonds2

About 2-(2-methyl-3H-thiophen-2-yl)ethanamine

2-(2-methyl-3H-thiophen-2-yl)ethanamine (PubChem CID 68810050) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 2-(2-methyl-3H-thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-3H-thiophen-2-yl)ethanamine
PubChem CID68810050
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name2-(2-methyl-3H-thiophen-2-yl)ethanamine
SMILESCC1(CCN)CC=CS1
InChIInChI=1S/C7H13NS/c1-7(4-5-8)3-2-6-9-7/h2,6H,3-5,8H2,1H3
InChIKeyJYPMYLMBWLLCAG-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-methyl-3H-thiophen-2-yl)ethanamine (CID 68810050) is 2-(2-methyl-3H-thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-3H-thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-3H-thiophen-2-yl)ethanamine is CC1(CCN)CC=CS1.
What is the InChIKey of 2-(2-methyl-3H-thiophen-2-yl)ethanamine?
The InChIKey is JYPMYLMBWLLCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(4-5-8)3-2-6-9-7/h2,6H,3-5,8H2,1H3.
What are the key properties of 2-(2-methyl-3H-thiophen-2-yl)ethanamine?
2-(2-methyl-3H-thiophen-2-yl)ethanamine has a molecular weight of 143.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-thiophen-2-yl)ethanamine is sourced from PubChem (CID 68810050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).