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

C14H21NS — CID 104986647

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H21NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,10,12H,1,3-9,15H2
InChIKeyIMNZLTNAQAZJPX-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.98
Rot. Bonds5

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

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine (PubChem CID 104986647) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
PubChem CID104986647
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H21NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,10,12H,1,3-9,15H2
InChIKeyIMNZLTNAQAZJPX-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.98
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-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-enylhydrazine
CID 105311280
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-yn-1-amine
CID 105033706
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
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-en-1-one
CID 114974846
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030438

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine (CID 104986647) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine is C=CCCCC(N)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
The InChIKey is IMNZLTNAQAZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-3-4-8-12(15)14-10-11-7-5-6-9-13(11)16-14/h2,10,12H,1,3-9,15H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.98, 5 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)hex-5-en-1-amine is sourced from PubChem (CID 104986647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).