2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine

C13H23NS — CID 63774829

IUPAC2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CC)CCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-9-14-11-12(4-2)7-8-13-6-5-10-15-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3
InChIKeyQYNBNQKYFNHYGB-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.71
Rot. Bonds8

About 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine

2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63774829) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63774829
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CC)CCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-9-14-11-12(4-2)7-8-13-6-5-10-15-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3
InChIKeyQYNBNQKYFNHYGB-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.71
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

2-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine (CID 63774829) is 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine is CCCNCC(CC)CCc1cccs1.
What is the InChIKey of 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is QYNBNQKYFNHYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-9-14-11-12(4-2)7-8-13-6-5-10-15-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63774829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).