3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine

C15H21NOS — CID 134232679

IUPAC3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc2ccoc2s1
InChIInChI=1S/C15H21NOS/c1-3-5-12(4-2)6-8-16-11-14-10-13-7-9-17-15(13)18-14/h3,7,9-10,12,16H,1,4-6,8,11H2,2H3
InChIKeyMNYJVGSABOFMPG-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.58
Rot. Bonds8

About 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine

3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine (PubChem CID 134232679) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine
PubChem CID134232679
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cc2ccoc2s1
InChIInChI=1S/C15H21NOS/c1-3-5-12(4-2)6-8-16-11-14-10-13-7-9-17-15(13)18-14/h3,7,9-10,12,16H,1,4-6,8,11H2,2H3
InChIKeyMNYJVGSABOFMPG-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.58
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 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine (CID 134232679) is 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine is C=CCC(CC)CCNCc1cc2ccoc2s1.
What is the InChIKey of 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine?
The InChIKey is MNYJVGSABOFMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-5-12(4-2)6-8-16-11-14-10-13-7-9-17-15(13)18-14/h3,7,9-10,12,16H,1,4-6,8,11H2,2H3.
What are the key properties of 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine?
3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine has a molecular weight of 263.41 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine is sourced from PubChem (CID 134232679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).