1-(4-methylthiophen-3-yl)hex-4-yn-1-amine

C11H15NS — CID 104806929

IUPAC1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cscc1C
InChIInChI=1S/C11H15NS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11H,5-6,12H2,1-2H3
InChIKeyUDAMNQKDRBHTPS-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine

1-(4-methylthiophen-3-yl)hex-4-yn-1-amine (PubChem CID 104806929) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
PubChem CID104806929
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cscc1C
InChIInChI=1S/C11H15NS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11H,5-6,12H2,1-2H3
InChIKeyUDAMNQKDRBHTPS-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
CID 104804116
1-(2-methylphenyl)hex-4-yn-1-amine
CID 104804509
2-amino-2-(4-methylthiophen-3-yl)ethanol
CID 84763905
4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
CID 114475513
1-(4-chloro-2,5-difluorophenyl)hex-4-yn-1-amine
CID 105037120
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
1-(3,5-difluorophenyl)hex-4-yn-1-amine
CID 104805083
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine?
The IUPAC name of 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine (CID 104806929) is 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine?
The canonical SMILES for 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine is CC#CCCC(N)c1cscc1C.
What is the InChIKey of 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine?
The InChIKey is UDAMNQKDRBHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11H,5-6,12H2,1-2H3.
What are the key properties of 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine?
1-(4-methylthiophen-3-yl)hex-4-yn-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)hex-4-yn-1-amine is sourced from PubChem (CID 104806929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).