1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine

C11H16ClNS — CID 104987378

IUPAC1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-3-5-6-9(13-4-2)10-7-8-11(12)14-10/h3,7-9,13H,1,4-6H2,2H3
InChIKeyBWUMBVYPLYUWSN-UHFFFAOYSA-N
MW229.78 g/mol
LogP4.02
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine

1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine (PubChem CID 104987378) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
PubChem CID104987378
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-3-5-6-9(13-4-2)10-7-8-11(12)14-10/h3,7-9,13H,1,4-6H2,2H3
InChIKeyBWUMBVYPLYUWSN-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
CID 104987443
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
CID 105153420
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine (CID 104987378) is 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine?
The InChIKey is BWUMBVYPLYUWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-5-6-9(13-4-2)10-7-8-11(12)14-10/h3,7-9,13H,1,4-6H2,2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine?
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine has a molecular weight of 229.78 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 104987378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).