N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine

C11H17NOS — CID 115815103

IUPACN-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cc(OC)cs1
InChIInChI=1S/C11H17NOS/c1-4-6-10(12-5-2)11-7-9(13-3)8-14-11/h4,7-8,10,12H,1,5-6H2,2-3H3
InChIKeyVRAVPNJYSZHOTD-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine

N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine (PubChem CID 115815103) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
PubChem CID115815103
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cc(OC)cs1
InChIInChI=1S/C11H17NOS/c1-4-6-10(12-5-2)11-7-9(13-3)8-14-11/h4,7-8,10,12H,1,5-6H2,2-3H3
InChIKeyVRAVPNJYSZHOTD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848647
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-ethyl-1-(4-methoxythiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999790
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine (CID 115815103) is N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine is C=CCC(NCC)c1cc(OC)cs1.
What is the InChIKey of N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine?
The InChIKey is VRAVPNJYSZHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-6-10(12-5-2)11-7-9(13-3)8-14-11/h4,7-8,10,12H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine?
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine is sourced from PubChem (CID 115815103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).