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

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 106143896
2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
CID 66385813
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104756410
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941217
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
CID 106181412
2-ethoxy-2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438131
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062

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).