2-[2-(diethylamino)ethylamino]ethanethiol

C8H20N2S — CID 15889018

IUPAC2-[2-(diethylamino)ethylamino]ethanethiol
SMILESCCN(CC)CCNCCS
InChIInChI=1S/C8H20N2S/c1-3-10(4-2)7-5-9-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyFQPDZMRGKXTVSV-UHFFFAOYSA-N
MW176.33 g/mol
LogP0.85
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]ethanethiol

2-[2-(diethylamino)ethylamino]ethanethiol (PubChem CID 15889018) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]ethanethiol
PubChem CID15889018
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name2-[2-(diethylamino)ethylamino]ethanethiol
SMILESCCN(CC)CCNCCS
InChIInChI=1S/C8H20N2S/c1-3-10(4-2)7-5-9-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyFQPDZMRGKXTVSV-UHFFFAOYSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]ethanethiol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]ethanethiol (CID 15889018) is 2-[2-(diethylamino)ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]ethanethiol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]ethanethiol is CCN(CC)CCNCCS.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]ethanethiol?
The InChIKey is FQPDZMRGKXTVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-3-10(4-2)7-5-9-6-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]ethanethiol?
2-[2-(diethylamino)ethylamino]ethanethiol has a molecular weight of 176.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]ethanethiol is sourced from PubChem (CID 15889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).