N-ethyl-2-hex-2-enylsulfanylethanamine

C10H21NS — CID 90294734

IUPACN-ethyl-2-hex-2-enylsulfanylethanamine
SMILESCCCC=CCSCCNCC
InChIInChI=1S/C10H21NS/c1-3-5-6-7-9-12-10-8-11-4-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyZDVIOFCHWMISSM-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.69
Rot. Bonds8

About N-ethyl-2-hex-2-enylsulfanylethanamine

N-ethyl-2-hex-2-enylsulfanylethanamine (PubChem CID 90294734) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-2-hex-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-hex-2-enylsulfanylethanamine
PubChem CID90294734
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-2-hex-2-enylsulfanylethanamine
SMILESCCCC=CCSCCNCC
InChIInChI=1S/C10H21NS/c1-3-5-6-7-9-12-10-8-11-4-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyZDVIOFCHWMISSM-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hex-2-enylsulfanylethanamine?
The IUPAC name of N-ethyl-2-hex-2-enylsulfanylethanamine (CID 90294734) is N-ethyl-2-hex-2-enylsulfanylethanamine.
What is the SMILES notation for N-ethyl-2-hex-2-enylsulfanylethanamine?
The canonical SMILES for N-ethyl-2-hex-2-enylsulfanylethanamine is CCCC=CCSCCNCC.
What is the InChIKey of N-ethyl-2-hex-2-enylsulfanylethanamine?
The InChIKey is ZDVIOFCHWMISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-5-6-7-9-12-10-8-11-4-2/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-hex-2-enylsulfanylethanamine?
N-ethyl-2-hex-2-enylsulfanylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hex-2-enylsulfanylethanamine is sourced from PubChem (CID 90294734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).