3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine

C11H23NOS — CID 102673439

IUPAC3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCSCC)C1
InChIInChI=1S/C11H23NOS/c1-3-13-11-8-10(9-11)12-6-5-7-14-4-2/h10-12H,3-9H2,1-2H3
InChIKeyBDCFNCMYIZAUDH-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds8

About 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine

3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine (PubChem CID 102673439) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine
PubChem CID102673439
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCSCC)C1
InChIInChI=1S/C11H23NOS/c1-3-13-11-8-10(9-11)12-6-5-7-14-4-2/h10-12H,3-9H2,1-2H3
InChIKeyBDCFNCMYIZAUDH-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
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-(3-ethylsulfanylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine (CID 102673439) is 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine is CCOC1CC(NCCCSCC)C1.
What is the InChIKey of 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine?
The InChIKey is BDCFNCMYIZAUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-13-11-8-10(9-11)12-6-5-7-14-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine?
3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 102673439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).