2-hexylsulfanylethanamine;hydrochloride

C8H20ClNS — CID 5463789

IUPAC2-hexylsulfanylethanamine;hydrochloride
SMILESCCCCCCSCCN.Cl
InChIInChI=1S/C8H19NS.ClH/c1-2-3-4-5-7-10-8-6-9;/h2-9H2,1H3;1H
InChIKeyRBPXWEAXSBRZBU-UHFFFAOYSA-N
MW197.77 g/mol
LogP2.68
Rot. Bonds7

About 2-hexylsulfanylethanamine;hydrochloride

2-hexylsulfanylethanamine;hydrochloride (PubChem CID 5463789) has the molecular formula C8H20ClNS and a molecular weight of 197.77 g/mol. Its IUPAC name is 2-hexylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-hexylsulfanylethanamine;hydrochloride
PubChem CID5463789
Molecular FormulaC8H20ClNS
Molecular Weight197.77 g/mol
Exact Mass197.10
IUPAC Name2-hexylsulfanylethanamine;hydrochloride
SMILESCCCCCCSCCN.Cl
InChIInChI=1S/C8H19NS.ClH/c1-2-3-4-5-7-10-8-6-9;/h2-9H2,1H3;1H
InChIKeyRBPXWEAXSBRZBU-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-hexylsulfanylethanamine;hydrochloride (CID 5463789) is 2-hexylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-hexylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-hexylsulfanylethanamine;hydrochloride is CCCCCCSCCN.Cl.
What is the InChIKey of 2-hexylsulfanylethanamine;hydrochloride?
The InChIKey is RBPXWEAXSBRZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS.ClH/c1-2-3-4-5-7-10-8-6-9;/h2-9H2,1H3;1H.
What are the key properties of 2-hexylsulfanylethanamine;hydrochloride?
2-hexylsulfanylethanamine;hydrochloride has a molecular weight of 197.77 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 5463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).