N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine

C8H19NOS — CID 123381764

IUPACN,N-diethyl-2-(methylsulfanylmethoxy)ethanamine
SMILESCCN(CC)CCOCSC
InChIInChI=1S/C8H19NOS/c1-4-9(5-2)6-7-10-8-11-3/h4-8H2,1-3H3
InChIKeyZPWZYZBJGQDTOM-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.67
Rot. Bonds7

About N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine

N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine (PubChem CID 123381764) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(methylsulfanylmethoxy)ethanamine
PubChem CID123381764
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN,N-diethyl-2-(methylsulfanylmethoxy)ethanamine
SMILESCCN(CC)CCOCSC
InChIInChI=1S/C8H19NOS/c1-4-9(5-2)6-7-10-8-11-3/h4-8H2,1-3H3
InChIKeyZPWZYZBJGQDTOM-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
CID 140565655
CID 140565655
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
N,N-diethyl-2-(2-trimethoxysilylethoxy)ethanamine
CID 90074439
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
N,N-diethyl-2-sulfanyloxyethanamine
CID 141295772
2-(diethylamino)ethyl hypochlorite
CID 87389474
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
2-(diiodomethoxy)-N,N-diethylethanamine
CID 166818774
3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
CID 64571654
2-[bis[2-(diethylamino)ethoxy]silyloxy]-N,N-diethylethanamine
CID 123680409
N,N-diethyl-2-(methylaminooxy)ethanamine
CID 143582118

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine (CID 123381764) is N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine is CCN(CC)CCOCSC.
What is the InChIKey of N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine?
The InChIKey is ZPWZYZBJGQDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-9(5-2)6-7-10-8-11-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine?
N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine has a molecular weight of 177.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine is sourced from PubChem (CID 123381764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).