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

C11H15NS — CID 104806086

IUPACN-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCc1cccs1
InChIInChI=1S/C11H15NS/c1-2-3-4-8-12-9-7-11-6-5-10-13-11/h5-6,10,12H,4,7-9H2,1H3
InChIKeyQWIZEQLTXZFVJI-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.29
Rot. Bonds5

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

N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine (PubChem CID 104806086) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
PubChem CID104806086
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCc1cccs1
InChIInChI=1S/C11H15NS/c1-2-3-4-8-12-9-7-11-6-5-10-13-11/h5-6,10,12H,4,7-9H2,1H3
InChIKeyQWIZEQLTXZFVJI-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine (CID 104806086) is N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine is CC#CCCNCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine?
The InChIKey is QWIZEQLTXZFVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-3-4-8-12-9-7-11-6-5-10-13-11/h5-6,10,12H,4,7-9H2,1H3.
What are the key properties of N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine?
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).