2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine

C13H23NOS — CID 116759557

IUPAC2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1csc(C)c1
InChIInChI=1S/C13H23NOS/c1-5-13(6-2,15-7-3)12(14)11-8-10(4)16-9-11/h8-9,12H,5-7,14H2,1-4H3
InChIKeyRTBZWQDEJPKRNU-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.65
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine

2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine (PubChem CID 116759557) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
PubChem CID116759557
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1csc(C)c1
InChIInChI=1S/C13H23NOS/c1-5-13(6-2,15-7-3)12(14)11-8-10(4)16-9-11/h8-9,12H,5-7,14H2,1-4H3
InChIKeyRTBZWQDEJPKRNU-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 79198358
2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
CID 130665450
2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991379
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
[2,2-dimethyl-1-(5-methylthiophen-3-yl)butyl]hydrazine
CID 105313380
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
methyl 2-(5-methylthiophen-3-yl)butanoate
CID 65099260
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine (CID 116759557) is 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine is CCOC(CC)(CC)C(N)c1csc(C)c1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The InChIKey is RTBZWQDEJPKRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-13(6-2,15-7-3)12(14)11-8-10(4)16-9-11/h8-9,12H,5-7,14H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 116759557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).