8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol

C15H33NO2S — CID 138728442

IUPAC8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol
SMILESCC(S)CCCCCCOCCOCCNC(C)C
InChIInChI=1S/C15H33NO2S/c1-14(2)16-9-11-18-13-12-17-10-7-5-4-6-8-15(3)19/h14-16,19H,4-13H2,1-3H3
InChIKeyMZOAXDJGKANGBK-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.29
Rot. Bonds14

About 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol

8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol (PubChem CID 138728442) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol.

Molecular Properties

Compound Name8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol
PubChem CID138728442
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Name8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol
SMILESCC(S)CCCCCCOCCOCCNC(C)C
InChIInChI=1S/C15H33NO2S/c1-14(2)16-9-11-18-13-12-17-10-7-5-4-6-8-15(3)19/h14-16,19H,4-13H2,1-3H3
InChIKeyMZOAXDJGKANGBK-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-(2-decoxyethyl)propan-2-amine
CID 63399572
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
CID 165106129
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
1-[3-[3-(propan-2-ylamino)propoxy]propylamino]propane-2-thiol
CID 167242562
N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 156794689
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
tridecane-2,12-dithiol
CID 118018691
(3S)-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]-3-sulfanylbutanamide
CID 170007756

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol?
The IUPAC name of 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol (CID 138728442) is 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol.
What is the SMILES notation for 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol?
The canonical SMILES for 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol is CC(S)CCCCCCOCCOCCNC(C)C.
What is the InChIKey of 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol?
The InChIKey is MZOAXDJGKANGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-14(2)16-9-11-18-13-12-17-10-7-5-4-6-8-15(3)19/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol?
8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol has a molecular weight of 291.50 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol is sourced from PubChem (CID 138728442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).