1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine

C9H11NS — CID 104995454

IUPAC1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
SMILESC#CC(N)c1sccc1CC
InChIInChI=1S/C9H11NS/c1-3-7-5-6-11-9(7)8(10)4-2/h2,5-6,8H,3,10H2,1H3
InChIKeyHHWWIPLWCHJZDB-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.94
Rot. Bonds2

About 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine

1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine (PubChem CID 104995454) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
PubChem CID104995454
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
SMILESC#CC(N)c1sccc1CC
InChIInChI=1S/C9H11NS/c1-3-7-5-6-11-9(7)8(10)4-2/h2,5-6,8H,3,10H2,1H3
InChIKeyHHWWIPLWCHJZDB-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.94
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

2-(dichloromethyl)-3-ethylthiophene
CID 14685355
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-amino-2-(3-propylthiophen-2-yl)acetonitrile
CID 139712652
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
CID 115849809
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine (CID 104995454) is 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine is C#CC(N)c1sccc1CC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine?
The InChIKey is HHWWIPLWCHJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-7-5-6-11-9(7)8(10)4-2/h2,5-6,8H,3,10H2,1H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine?
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine has a molecular weight of 165.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 104995454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).