1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine

C13H19NS — CID 104987233

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C13H19NS/c1-2-3-7-11(14)13-9-10-6-4-5-8-12(10)15-13/h2,9,11H,1,3-8,14H2
InChIKeyIYLYZERYDVOUPY-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.59
Rot. Bonds4

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine (PubChem CID 104987233) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
PubChem CID104987233
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C13H19NS/c1-2-3-7-11(14)13-9-10-6-4-5-8-12(10)15-13/h2,9,11H,1,3-8,14H2
InChIKeyIYLYZERYDVOUPY-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.59
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

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-enylhydrazine
CID 105311280
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 103031371
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine (CID 104987233) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine is C=CCCC(N)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine?
The InChIKey is IYLYZERYDVOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-3-7-11(14)13-9-10-6-4-5-8-12(10)15-13/h2,9,11H,1,3-8,14H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 104987233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).