3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine

C13H23NOS — CID 116758877

IUPAC3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccsc1)NC
InChIInChI=1S/C13H23NOS/c1-5-13(3,15-6-2)12(14-4)9-11-7-8-16-10-11/h7-8,10,12,14H,5-6,9H2,1-4H3
InChIKeyGLLLZUGOFIHZIY-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.08
Rot. Bonds7

About 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine

3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine (PubChem CID 116758877) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
PubChem CID116758877
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccsc1)NC
InChIInChI=1S/C13H23NOS/c1-5-13(3,15-6-2)12(14-4)9-11-7-8-16-10-11/h7-8,10,12,14H,5-6,9H2,1-4H3
InChIKeyGLLLZUGOFIHZIY-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
CID 116758710
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
5-ethoxy-N,5-dimethylhept-1-en-4-amine
CID 116758698
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine (CID 116758877) is 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine is CCOC(C)(CC)C(Cc1ccsc1)NC.
What is the InChIKey of 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine?
The InChIKey is GLLLZUGOFIHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-13(3,15-6-2)12(14-4)9-11-7-8-16-10-11/h7-8,10,12,14H,5-6,9H2,1-4H3.
What are the key properties of 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine?
3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine is sourced from PubChem (CID 116758877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).