4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine

C13H23NOS — CID 116716710

IUPAC4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
SMILESCCOC(CC)C(CCc1ccsc1)NC
InChIInChI=1S/C13H23NOS/c1-4-13(15-5-2)12(14-3)7-6-11-8-9-16-10-11/h8-10,12-14H,4-7H2,1-3H3
InChIKeyRAGWDLVMWSYHGZ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.08
Rot. Bonds8

About 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine

4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine (PubChem CID 116716710) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
PubChem CID116716710
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
SMILESCCOC(CC)C(CCc1ccsc1)NC
InChIInChI=1S/C13H23NOS/c1-4-13(15-5-2)12(14-3)7-6-11-8-9-16-10-11/h8-10,12-14H,4-7H2,1-3H3
InChIKeyRAGWDLVMWSYHGZ-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
CID 115856961
4-methoxy-1-thiophen-3-ylhexan-3-amine
CID 116715242
3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116716532
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105246462
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
CID 115623839

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine?
The IUPAC name of 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine (CID 116716710) is 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine is CCOC(CC)C(CCc1ccsc1)NC.
What is the InChIKey of 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine?
The InChIKey is RAGWDLVMWSYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-13(15-5-2)12(14-3)7-6-11-8-9-16-10-11/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine?
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine has a molecular weight of 241.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine is sourced from PubChem (CID 116716710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).