2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine

C10H21NOS — CID 104668737

IUPAC2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
SMILESC=CCCOCCNCCSCC
InChIInChI=1S/C10H21NOS/c1-3-5-8-12-9-6-11-7-10-13-4-2/h3,11H,1,4-10H2,2H3
InChIKeyHTIMCRFGQGAXCL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.92
Rot. Bonds10

About 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine

2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine (PubChem CID 104668737) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
PubChem CID104668737
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
SMILESC=CCCOCCNCCSCC
InChIInChI=1S/C10H21NOS/c1-3-5-8-12-9-6-11-7-10-13-4-2/h3,11H,1,4-10H2,2H3
InChIKeyHTIMCRFGQGAXCL-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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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Related Compounds

N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
CID 106401321
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine (CID 104668737) is 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine is C=CCCOCCNCCSCC.
What is the InChIKey of 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine?
The InChIKey is HTIMCRFGQGAXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-5-8-12-9-6-11-7-10-13-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine?
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine is sourced from PubChem (CID 104668737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).