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

C10H17NS — CID 63774088

IUPAC2-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCC(CN)CCc1cccs1
InChIInChI=1S/C10H17NS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8,11H2,1H3
InChIKeyVKYJIUMZIDOVHR-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.67
Rot. Bonds5

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

2-ethyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63774088) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-ethyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63774088
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCC(CN)CCc1cccs1
InChIInChI=1S/C10H17NS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8,11H2,1H3
InChIKeyVKYJIUMZIDOVHR-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774826
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774451
7-thiophen-2-ylheptan-3-amine
CID 64505571
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-4-thiophen-2-ylbutan-1-amine (CID 63774088) is 2-ethyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-thiophen-2-ylbutan-1-amine is CCC(CN)CCc1cccs1.
What is the InChIKey of 2-ethyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is VKYJIUMZIDOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-9(8-11)5-6-10-4-3-7-12-10/h3-4,7,9H,2,5-6,8,11H2,1H3.
What are the key properties of 2-ethyl-4-thiophen-2-ylbutan-1-amine?
2-ethyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63774088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).