N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine

C11H17NS — CID 79590562

IUPACN-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
SMILESCCNCCC=Cc1csc(C)c1
InChIInChI=1S/C11H17NS/c1-3-12-7-5-4-6-11-8-10(2)13-9-11/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyIWTUULMTZPRPKJ-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.07
Rot. Bonds5

About N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine

N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine (PubChem CID 79590562) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
PubChem CID79590562
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
SMILESCCNCCC=Cc1csc(C)c1
InChIInChI=1S/C11H17NS/c1-3-12-7-5-4-6-11-8-10(2)13-9-11/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyIWTUULMTZPRPKJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.07
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-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79591333
4-(4-bromobut-1-enyl)-2-methylthiophene
CID 79603021
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546326
N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine
CID 79592510
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
4-[4-(methylamino)but-1-enyl]thiophene-2-carboxylic acid
CID 170495337
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
3-(5-methylthiophen-3-yl)prop-2-enenitrile
CID 169482992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine (CID 79590562) is N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine is CCNCCC=Cc1csc(C)c1.
What is the InChIKey of N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine?
The InChIKey is IWTUULMTZPRPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-12-7-5-4-6-11-8-10(2)13-9-11/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine?
N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine is sourced from PubChem (CID 79590562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).