3-[2-(hexylamino)ethylsulfanyl]propan-1-ol

C11H25NOS — CID 106309422

IUPAC3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
SMILESCCCCCCNCCSCCCO
InChIInChI=1S/C11H25NOS/c1-2-3-4-5-7-12-8-11-14-10-6-9-13/h12-13H,2-11H2,1H3
InChIKeyXWSHTFNUUIYADP-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.27
Rot. Bonds11

About 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol

3-[2-(hexylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106309422) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
PubChem CID106309422
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
SMILESCCCCCCNCCSCCCO
InChIInChI=1S/C11H25NOS/c1-2-3-4-5-7-12-8-11-14-10-6-9-13/h12-13H,2-11H2,1H3
InChIKeyXWSHTFNUUIYADP-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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8-pentylsulfanyloctan-1-ol
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3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
CID 106310342
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CID 161423739
octane;N-octylnonan-1-amine
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N-undecyltetradecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol (CID 106309422) is 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol is CCCCCCNCCSCCCO.
What is the InChIKey of 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is XWSHTFNUUIYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-2-3-4-5-7-12-8-11-14-10-6-9-13/h12-13H,2-11H2,1H3.
What are the key properties of 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol?
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.27, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hexylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106309422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).