N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine

C10H21NOS — CID 104668699

IUPACN-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCSCC
InChIInChI=1S/C10H21NOS/c1-4-13-8-6-11-5-7-12-9-10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyAGUOALRBLZGXSO-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.92
Rot. Bonds9

About N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine

N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 104668699) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID104668699
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCSCC
InChIInChI=1S/C10H21NOS/c1-4-13-8-6-11-5-7-12-9-10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyAGUOALRBLZGXSO-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine (CID 104668699) is N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCCSCC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is AGUOALRBLZGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-13-8-6-11-5-7-12-9-10(2)3/h11H,2,4-9H2,1,3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine?
N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 104668699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).