2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol

C14H31NO4S2 — CID 20742518

IUPAC2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol
SMILESNCCOCCOCCCCSSCCCCOCCO
InChIInChI=1S/C14H31NO4S2/c15-5-9-19-12-11-18-8-2-4-14-21-20-13-3-1-7-17-10-6-16/h16H,1-15H2
InChIKeyFBMMYHDDOMQTQT-UHFFFAOYSA-N
MW341.54 g/mol
LogP1.93
Rot. Bonds18

About 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol

2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol (PubChem CID 20742518) has the molecular formula C14H31NO4S2 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol
PubChem CID20742518
Molecular FormulaC14H31NO4S2
Molecular Weight341.54 g/mol
Exact Mass341.17
IUPAC Name2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol
SMILESNCCOCCOCCCCSSCCCCOCCO
InChIInChI=1S/C14H31NO4S2/c15-5-9-19-12-11-18-8-2-4-14-21-20-13-3-1-7-17-10-6-16/h16H,1-15H2
InChIKeyFBMMYHDDOMQTQT-UHFFFAOYSA-N
XLogP1.93
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butylsulfanyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123495249
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
CID 88780481
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol?
The IUPAC name of 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol (CID 20742518) is 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol.
What is the SMILES notation for 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol?
The canonical SMILES for 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol is NCCOCCOCCCCSSCCCCOCCO.
What is the InChIKey of 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol?
The InChIKey is FBMMYHDDOMQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4S2/c15-5-9-19-12-11-18-8-2-4-14-21-20-13-3-1-7-17-10-6-16/h16H,1-15H2.
What are the key properties of 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol?
2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol has a molecular weight of 341.54 g/mol, XLogP of 1.93, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2-aminoethoxy)ethoxy]butyldisulfanyl]butoxy]ethanol is sourced from PubChem (CID 20742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).