N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine

C7H17NOS — CID 61385841

IUPACN-ethyl-2-(2-methoxyethylsulfanyl)ethanamine
SMILESCCNCCSCCOC
InChIInChI=1S/C7H17NOS/c1-3-8-4-6-10-7-5-9-2/h8H,3-7H2,1-2H3
InChIKeyRBYIEDONDJGJDS-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.98
Rot. Bonds7

About N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine

N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine (PubChem CID 61385841) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethylsulfanyl)ethanamine
PubChem CID61385841
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN-ethyl-2-(2-methoxyethylsulfanyl)ethanamine
SMILESCCNCCSCCOC
InChIInChI=1S/C7H17NOS/c1-3-8-4-6-10-7-5-9-2/h8H,3-7H2,1-2H3
InChIKeyRBYIEDONDJGJDS-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.98
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 N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine (CID 61385841) is N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine is CCNCCSCCOC.
What is the InChIKey of N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine?
The InChIKey is RBYIEDONDJGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-3-8-4-6-10-7-5-9-2/h8H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine?
N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine has a molecular weight of 163.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethylsulfanyl)ethanamine is sourced from PubChem (CID 61385841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).