1-(2-methylthiophen-3-yl)hex-1-yn-3-amine

C11H15NS — CID 106226124

IUPAC1-(2-methylthiophen-3-yl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccsc1C
InChIInChI=1S/C11H15NS/c1-3-4-11(12)6-5-10-7-8-13-9(10)2/h7-8,11H,3-4,12H2,1-2H3
InChIKeyUDHMQUKFPLNSFJ-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine

1-(2-methylthiophen-3-yl)hex-1-yn-3-amine (PubChem CID 106226124) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)hex-1-yn-3-amine
PubChem CID106226124
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-(2-methylthiophen-3-yl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccsc1C
InChIInChI=1S/C11H15NS/c1-3-4-11(12)6-5-10-7-8-13-9(10)2/h7-8,11H,3-4,12H2,1-2H3
InChIKeyUDHMQUKFPLNSFJ-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine?
The IUPAC name of 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine (CID 106226124) is 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine?
The canonical SMILES for 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine is CCCC(N)C#Cc1ccsc1C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine?
The InChIKey is UDHMQUKFPLNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-4-11(12)6-5-10-7-8-13-9(10)2/h7-8,11H,3-4,12H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine?
1-(2-methylthiophen-3-yl)hex-1-yn-3-amine has a molecular weight of 193.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)hex-1-yn-3-amine is sourced from PubChem (CID 106226124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).