1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine

C16H27NS — CID 105124704

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCCc2sccc21
InChIInChI=1S/C16H27NS/c1-2-3-4-5-6-9-15(17)13-8-7-10-16-14(13)11-12-18-16/h11-13,15H,2-10,17H2,1H3
InChIKeyJCKGLQFJSCEVCF-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.86
Rot. Bonds7

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine (PubChem CID 105124704) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
PubChem CID105124704
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCCc2sccc21
InChIInChI=1S/C16H27NS/c1-2-3-4-5-6-9-15(17)13-8-7-10-16-14(13)11-12-18-16/h11-13,15H,2-10,17H2,1H3
InChIKeyJCKGLQFJSCEVCF-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-5-yn-1-amine
CID 105179531
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-4-yn-1-amine
CID 105181415
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
2-(3-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105091084
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine (CID 105124704) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine is CCCCCCCC(N)C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine?
The InChIKey is JCKGLQFJSCEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-2-3-4-5-6-9-15(17)13-8-7-10-16-14(13)11-12-18-16/h11-13,15H,2-10,17H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.86, 7 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-4-yl)octan-1-amine is sourced from PubChem (CID 105124704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).