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

C9H17NS — CID 68810770

IUPAC2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
SMILESCC(C)C1(CCN)CC=CS1
InChIInChI=1S/C9H17NS/c1-8(2)9(5-6-10)4-3-7-11-9/h3,7-8H,4-6,10H2,1-2H3
InChIKeyAGSYWUMMUCXQSF-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.38
Rot. Bonds3

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

2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine (PubChem CID 68810770) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
PubChem CID68810770
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
SMILESCC(C)C1(CCN)CC=CS1
InChIInChI=1S/C9H17NS/c1-8(2)9(5-6-10)4-3-7-11-9/h3,7-8H,4-6,10H2,1-2H3
InChIKeyAGSYWUMMUCXQSF-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine (CID 68810770) is 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine is CC(C)C1(CCN)CC=CS1.
What is the InChIKey of 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine?
The InChIKey is AGSYWUMMUCXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)9(5-6-10)4-3-7-11-9/h3,7-8H,4-6,10H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine?
2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine has a molecular weight of 171.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine is sourced from PubChem (CID 68810770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).