2-(3-ethoxypropylsulfanyl)-N-methylethanamine

C8H19NOS — CID 134441048

IUPAC2-(3-ethoxypropylsulfanyl)-N-methylethanamine
SMILESCCOCCCSCCNC
InChIInChI=1S/C8H19NOS/c1-3-10-6-4-7-11-8-5-9-2/h9H,3-8H2,1-2H3
InChIKeyXXGJWWFWQFTCOQ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.37
Rot. Bonds8

About 2-(3-ethoxypropylsulfanyl)-N-methylethanamine

2-(3-ethoxypropylsulfanyl)-N-methylethanamine (PubChem CID 134441048) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethoxypropylsulfanyl)-N-methylethanamine
PubChem CID134441048
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-(3-ethoxypropylsulfanyl)-N-methylethanamine
SMILESCCOCCCSCCNC
InChIInChI=1S/C8H19NOS/c1-3-10-6-4-7-11-8-5-9-2/h9H,3-8H2,1-2H3
InChIKeyXXGJWWFWQFTCOQ-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.37
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-(3-ethoxypropylsulfanyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethoxypropylsulfanyl)-N-methylethanamine (CID 134441048) is 2-(3-ethoxypropylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethoxypropylsulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethoxypropylsulfanyl)-N-methylethanamine is CCOCCCSCCNC.
What is the InChIKey of 2-(3-ethoxypropylsulfanyl)-N-methylethanamine?
The InChIKey is XXGJWWFWQFTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-10-6-4-7-11-8-5-9-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethoxypropylsulfanyl)-N-methylethanamine?
2-(3-ethoxypropylsulfanyl)-N-methylethanamine has a molecular weight of 177.31 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 134441048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).