N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine

C11H15NS — CID 115725339

IUPACN-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1ccsc1
InChIInChI=1S/C11H15NS/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,6-10,12H,5H2,2-3H3
InChIKeyIUPKAUDYLMJQAU-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.81
Rot. Bonds4

About N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine

N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine (PubChem CID 115725339) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
PubChem CID115725339
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1ccsc1
InChIInChI=1S/C11H15NS/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,6-10,12H,5H2,2-3H3
InChIKeyIUPKAUDYLMJQAU-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.81
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 N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine (CID 115725339) is N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine is C#CCC(C)NC(C)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine?
The InChIKey is IUPKAUDYLMJQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-5-9(2)12-10(3)11-6-7-13-8-11/h1,6-10,12H,5H2,2-3H3.
What are the key properties of N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine?
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine has a molecular weight of 193.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine is sourced from PubChem (CID 115725339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).