N-ethyl-3-thiophen-3-ylpropan-1-amine

C9H15NS — CID 62529819

IUPACN-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNCCCc1ccsc1
InChIInChI=1S/C9H15NS/c1-2-10-6-3-4-9-5-7-11-8-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeySALAOJHPRZNFGV-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-3-thiophen-3-ylpropan-1-amine

N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62529819) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID62529819
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNCCCc1ccsc1
InChIInChI=1S/C9H15NS/c1-2-10-6-3-4-9-5-7-11-8-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeySALAOJHPRZNFGV-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
azane;3-propylthiophene
CID 174446539
3-heptylthiophene;3-hexylthiophene
CID 159152668
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
3-heptylthiophene;oxaldehyde
CID 175169306
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 62529819) is N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNCCCc1ccsc1.
What is the InChIKey of N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is SALAOJHPRZNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-10-6-3-4-9-5-7-11-8-9/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of N-ethyl-3-thiophen-3-ylpropan-1-amine?
N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 169.29 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-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62529819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).