2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine

C11H20N2OS — CID 114941526

IUPAC2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
SMILESCCOC(C)(C)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-4-14-11(2,3)8-13-7-10-9(12)5-6-15-10/h5-6,13H,4,7-8,12H2,1-3H3
InChIKeyAOEANEOFUABJGC-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.23
Rot. Bonds6

About 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine

2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine (PubChem CID 114941526) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
PubChem CID114941526
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
SMILESCCOC(C)(C)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-4-14-11(2,3)8-13-7-10-9(12)5-6-15-10/h5-6,13H,4,7-8,12H2,1-3H3
InChIKeyAOEANEOFUABJGC-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine 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-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine (CID 114941526) is 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine is CCOC(C)(C)CNCc1sccc1N.
What is the InChIKey of 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The InChIKey is AOEANEOFUABJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-14-11(2,3)8-13-7-10-9(12)5-6-15-10/h5-6,13H,4,7-8,12H2,1-3H3.
What are the key properties of 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine has a molecular weight of 228.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine is sourced from PubChem (CID 114941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).