1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine

C11H17NS — CID 105004261

IUPAC1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10H,2,4,7,12H2,1,3H3
InChIKeyZAJDDKRWKNFWQA-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.28
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine

1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine (PubChem CID 105004261) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
PubChem CID105004261
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10H,2,4,7,12H2,1,3H3
InChIKeyZAJDDKRWKNFWQA-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105319474
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
(1R)-1-(4-ethylphenyl)-3-methylbut-3-en-1-amine
CID 171211237

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine (CID 105004261) is 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine?
The InChIKey is ZAJDDKRWKNFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-9-5-6-11(13-9)10(12)7-8(2)3/h5-6,10H,2,4,7,12H2,1,3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine?
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 105004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).