2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine

C8H17NS — CID 57125237

IUPAC2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine
SMILESCS1(C)(CCN)=CCC=C1
InChIInChI=1S/C8H17NS/c1-10(2,8-5-9)6-3-4-7-10/h3,6-7H,4-5,8-9H2,1-2H3
InChIKeyMTPWIIPXEXSTPQ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.26
Rot. Bonds2

About 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine

2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine (PubChem CID 57125237) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine
PubChem CID57125237
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine
SMILESCS1(C)(CCN)=CCC=C1
InChIInChI=1S/C8H17NS/c1-10(2,8-5-9)6-3-4-7-10/h3,6-7H,4-5,8-9H2,1-2H3
InChIKeyMTPWIIPXEXSTPQ-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine?
The IUPAC name of 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine (CID 57125237) is 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine?
The canonical SMILES for 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine is CS1(C)(CCN)=CCC=C1.
What is the InChIKey of 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine?
The InChIKey is MTPWIIPXEXSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-10(2,8-5-9)6-3-4-7-10/h3,6-7H,4-5,8-9H2,1-2H3.
What are the key properties of 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine?
2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethyl-3H-thiophen-1-yl)ethanamine is sourced from PubChem (CID 57125237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).