N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine

C12H21NOS — CID 105153974

IUPACN-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
SMILESCCCOCCC(NCC)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-3-7-14-8-5-12(13-4-2)11-6-9-15-10-11/h6,9-10,12-13H,3-5,7-8H2,1-2H3
InChIKeyHEPQHCDHKSNPDD-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.22
Rot. Bonds8

About N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine

N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine (PubChem CID 105153974) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
PubChem CID105153974
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
SMILESCCCOCCC(NCC)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-3-7-14-8-5-12(13-4-2)11-6-9-15-10-11/h6,9-10,12-13H,3-5,7-8H2,1-2H3
InChIKeyHEPQHCDHKSNPDD-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-propoxy-1-thiophen-3-ylpropyl)hydrazine
CID 105311994
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine (CID 105153974) is N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine is CCCOCCC(NCC)c1ccsc1.
What is the InChIKey of N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine?
The InChIKey is HEPQHCDHKSNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-7-14-8-5-12(13-4-2)11-6-9-15-10-11/h6,9-10,12-13H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine?
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105153974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).