2-(2-ethoxyethylsulfanyl)ethanamine

C6H15NOS — CID 43249537

IUPAC2-(2-ethoxyethylsulfanyl)ethanamine
SMILESCCOCCSCCN
InChIInChI=1S/C6H15NOS/c1-2-8-4-6-9-5-3-7/h2-7H2,1H3
InChIKeyKPXMXONAOZWANY-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.71
Rot. Bonds6

About 2-(2-ethoxyethylsulfanyl)ethanamine

2-(2-ethoxyethylsulfanyl)ethanamine (PubChem CID 43249537) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)ethanamine
PubChem CID43249537
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-(2-ethoxyethylsulfanyl)ethanamine
SMILESCCOCCSCCN
InChIInChI=1S/C6H15NOS/c1-2-8-4-6-9-5-3-7/h2-7H2,1H3
InChIKeyKPXMXONAOZWANY-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.71
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 2-(2-ethoxyethylsulfanyl)ethanamine?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)ethanamine (CID 43249537) is 2-(2-ethoxyethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)ethanamine is CCOCCSCCN.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)ethanamine?
The InChIKey is KPXMXONAOZWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-2-8-4-6-9-5-3-7/h2-7H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)ethanamine?
2-(2-ethoxyethylsulfanyl)ethanamine has a molecular weight of 149.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)ethanamine is sourced from PubChem (CID 43249537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).