9-[bis(2-ethoxyethyl)amino]nonane-1-thiol

C17H37NO2S — CID 105344268

IUPAC9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
SMILESCCOCCN(CCCCCCCCCS)CCOCC
InChIInChI=1S/C17H37NO2S/c1-3-19-15-13-18(14-16-20-4-2)12-10-8-6-5-7-9-11-17-21/h21H,3-17H2,1-2H3
InChIKeyYJKOIXUUAXRAKK-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.02
Rot. Bonds17

About 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol

9-[bis(2-ethoxyethyl)amino]nonane-1-thiol (PubChem CID 105344268) has the molecular formula C17H37NO2S and a molecular weight of 319.56 g/mol. Its IUPAC name is 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
PubChem CID105344268
Molecular FormulaC17H37NO2S
Molecular Weight319.56 g/mol
Exact Mass319.25
IUPAC Name9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
SMILESCCOCCN(CCCCCCCCCS)CCOCC
InChIInChI=1S/C17H37NO2S/c1-3-19-15-13-18(14-16-20-4-2)12-10-8-6-5-7-9-11-17-21/h21H,3-17H2,1-2H3
InChIKeyYJKOIXUUAXRAKK-UHFFFAOYSA-N
XLogP4.02
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
4-[hexyl(pentyl)amino]butane-1-thiol
CID 23362522
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
N'-(2-ethoxyethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55220253
3-[bis[2-(didodecylamino)ethoxy]-ethoxysilyl]propane-1-thiol
CID 159134516
3-[bis[2-(didecylamino)ethoxy]-dodecylsilyl]propane-1-thiol
CID 158617164
3-[bis[2-(didecylamino)ethoxy]-methylsilyl]propane-1-thiol
CID 172786233
N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
CID 91475328
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
3-[bis[2-(didecylamino)ethoxy]-octoxysilyl]propane-1-thiol
CID 162233058

Frequently Asked Questions

What is the IUPAC name of 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol?
The IUPAC name of 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol (CID 105344268) is 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol?
The canonical SMILES for 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol is CCOCCN(CCCCCCCCCS)CCOCC.
What is the InChIKey of 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol?
The InChIKey is YJKOIXUUAXRAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2S/c1-3-19-15-13-18(14-16-20-4-2)12-10-8-6-5-7-9-11-17-21/h21H,3-17H2,1-2H3.
What are the key properties of 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol?
9-[bis(2-ethoxyethyl)amino]nonane-1-thiol has a molecular weight of 319.56 g/mol, XLogP of 4.02, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(2-ethoxyethyl)amino]nonane-1-thiol is sourced from PubChem (CID 105344268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).