3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine

C11H25NO2S — CID 63856708

IUPAC3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
SMILESCCOCCCNCCSCCCOC
InChIInChI=1S/C11H25NO2S/c1-3-14-9-4-6-12-7-11-15-10-5-8-13-2/h12H,3-11H2,1-2H3
InChIKeyMJEYTZQJGXVSKB-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.77
Rot. Bonds12

About 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine

3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine (PubChem CID 63856708) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
PubChem CID63856708
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
SMILESCCOCCCNCCSCCCOC
InChIInChI=1S/C11H25NO2S/c1-3-14-9-4-6-12-7-11-15-10-5-8-13-2/h12H,3-11H2,1-2H3
InChIKeyMJEYTZQJGXVSKB-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62576986
N-[2-(3-methoxypropyldisulfanyl)ethyl]butan-1-amine
CID 158207696
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
N-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine (CID 63856708) is 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine is CCOCCCNCCSCCCOC.
What is the InChIKey of 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The InChIKey is MJEYTZQJGXVSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-3-14-9-4-6-12-7-11-15-10-5-8-13-2/h12H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.77, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 63856708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).