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

C14H19NS — CID 105152981

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C14H19NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,5-7,9,12,14H,1,3-4,8,10,15H2
InChIKeyWJWHZKFFVRSLLD-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.39
Rot. Bonds5

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

1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine (PubChem CID 105152981) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
PubChem CID105152981
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C14H19NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,5-7,9,12,14H,1,3-4,8,10,15H2
InChIKeyWJWHZKFFVRSLLD-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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'}

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
CID 107012061
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-yn-1-amine
CID 105179456
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
CID 105190083
1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
CID 105153134
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029885
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine (CID 105152981) is 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine is C=CCCCC(N)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The InChIKey is WJWHZKFFVRSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,5-7,9,12,14H,1,3-4,8,10,15H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.39, 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-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 105152981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).