3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine

C10H21NOS — CID 102673447

IUPAC3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCSCC)C1
InChIInChI=1S/C10H21NOS/c1-3-12-10-7-9(8-10)11-5-6-13-4-2/h9-11H,3-8H2,1-2H3
InChIKeyDXMBOSRPYJQHLG-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds7

About 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine

3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine (PubChem CID 102673447) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
PubChem CID102673447
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCSCC)C1
InChIInChI=1S/C10H21NOS/c1-3-12-10-7-9(8-10)11-5-6-13-4-2/h9-11H,3-8H2,1-2H3
InChIKeyDXMBOSRPYJQHLG-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine (CID 102673447) is 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine is CCOC1CC(NCCSCC)C1.
What is the InChIKey of 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is DXMBOSRPYJQHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-12-10-7-9(8-10)11-5-6-13-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 102673447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).