1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine

C14H19NS — CID 105153134

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CSc2ccccc21
InChIInChI=1S/C14H19NS/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14/h2,5-7,9,12-13H,1,3-4,8,10,15H2
InChIKeyDISSLYJYAPMLOO-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine

1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine (PubChem CID 105153134) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
PubChem CID105153134
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CSc2ccccc21
InChIInChI=1S/C14H19NS/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14/h2,5-7,9,12-13H,1,3-4,8,10,15H2
InChIKeyDISSLYJYAPMLOO-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-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-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
CID 105152995
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
1-(2,3-dihydro-1-benzothiophen-3-yl)but-3-yn-1-amine
CID 105077457
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 105152981
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105167906
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040
1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
CID 107012061
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine (CID 105153134) is 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine is C=CCCCC(N)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine?
The InChIKey is DISSLYJYAPMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14/h2,5-7,9,12-13H,1,3-4,8,10,15H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine?
1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 105153134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).