3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine

C15H21NS — CID 134232577

IUPAC3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCC#Cc1cccs1
InChIInChI=1S/C15H21NS/c1-3-7-14(4-2)10-12-16-11-5-8-15-9-6-13-17-15/h3,6,9,13-14,16H,1,4,7,10-12H2,2H3
InChIKeySBGXTONAZLGWHY-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.68
Rot. Bonds7

About 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine

3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine (PubChem CID 134232577) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine
PubChem CID134232577
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCC#Cc1cccs1
InChIInChI=1S/C15H21NS/c1-3-7-14(4-2)10-12-16-11-5-8-15-9-6-13-17-15/h3,6,9,13-14,16H,1,4,7,10-12H2,2H3
InChIKeySBGXTONAZLGWHY-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.68
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine (CID 134232577) is 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine is C=CCC(CC)CCNCC#Cc1cccs1.
What is the InChIKey of 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine?
The InChIKey is SBGXTONAZLGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-7-14(4-2)10-12-16-11-5-8-15-9-6-13-17-15/h3,6,9,13-14,16H,1,4,7,10-12H2,2H3.
What are the key properties of 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine?
3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine has a molecular weight of 247.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-thiophen-2-ylprop-2-ynyl)hex-5-en-1-amine is sourced from PubChem (CID 134232577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).