2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine

C10H19NOS — CID 118890728

IUPAC2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCOCCNCCSCC=C
InChIInChI=1S/C10H19NOS/c1-3-7-12-8-5-11-6-10-13-9-4-2/h3-4,11H,1-2,5-10H2
InChIKeyJRZXYYSOPBVQRO-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.70
Rot. Bonds10

About 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine

2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 118890728) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID118890728
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCOCCNCCSCC=C
InChIInChI=1S/C10H19NOS/c1-3-7-12-8-5-11-6-10-13-9-4-2/h3-4,11H,1-2,5-10H2
InChIKeyJRZXYYSOPBVQRO-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.70
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 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 118890728) is 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCOCCNCCSCC=C.
What is the InChIKey of 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is JRZXYYSOPBVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-7-12-8-5-11-6-10-13-9-4-2/h3-4,11H,1-2,5-10H2.
What are the key properties of 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 201.33 g/mol, XLogP of 1.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 118890728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).