1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine

C13H19NS — CID 115819403

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C13H19NS/c1-5-7-8-12(14-6-2)13-9-10(3)11(4)15-13/h9,12,14H,6,8H2,1-4H3
InChIKeyMYNOENFPZLBOBW-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.43
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine

1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine (PubChem CID 115819403) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
PubChem CID115819403
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C13H19NS/c1-5-7-8-12(14-6-2)13-9-10(3)11(4)15-13/h9,12,14H,6,8H2,1-4H3
InChIKeyMYNOENFPZLBOBW-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.43
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-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115820000
1-(4,5-dimethylthiophen-2-yl)-N-methylhex-4-yn-1-amine
CID 105037280
1-(4,5-dimethylthiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114976847
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 65239260
N-ethyl-1-(5-methylfuran-3-yl)pent-3-yn-1-amine
CID 115819808
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 115864905
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005190
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine (CID 115819403) is 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine?
The InChIKey is MYNOENFPZLBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-5-7-8-12(14-6-2)13-9-10(3)11(4)15-13/h9,12,14H,6,8H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 115819403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).