1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine

C16H23NS — CID 107012061

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C16H23NS/c1-2-3-4-5-6-10-14(17)16-12-13-9-7-8-11-15(13)18-16/h2,7-9,11,14,16H,1,3-6,10,12,17H2
InChIKeyLDBJAWSEECIUQO-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.17
Rot. Bonds7

About 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine (PubChem CID 107012061) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
PubChem CID107012061
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)C1Cc2ccccc2S1
InChIInChI=1S/C16H23NS/c1-2-3-4-5-6-10-14(17)16-12-13-9-7-8-11-15(13)18-16/h2,7-9,11,14,16H,1,3-6,10,12,17H2
InChIKeyLDBJAWSEECIUQO-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.17
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)hex-5-en-1-amine
CID 105152981
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-3-yl)hex-5-en-1-amine
CID 105153134
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
1-(1,4-dithian-2-yl)oct-7-en-1-amine
CID 107009463
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063
1-(2,3-dihydro-1-benzothiophen-2-yl)pent-4-yn-1-ol
CID 105098639
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137284

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine (CID 107012061) is 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine is C=CCCCCCC(N)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine?
The InChIKey is LDBJAWSEECIUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-3-4-5-6-10-14(17)16-12-13-9-7-8-11-15(13)18-16/h2,7-9,11,14,16H,1,3-6,10,12,17H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.17, 7 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)oct-7-en-1-amine is sourced from PubChem (CID 107012061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).