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

C15H21NS — CID 105152995

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1CSc2ccccc21
InChIInChI=1S/C15H21NS/c1-3-4-5-9-14(16-2)13-11-17-15-10-7-6-8-12(13)15/h3,6-8,10,13-14,16H,1,4-5,9,11H2,2H3
InChIKeyCZSUSDDNFMIYHW-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.82
Rot. Bonds6

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

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine (PubChem CID 105152995) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
PubChem CID105152995
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)C1CSc2ccccc21
InChIInChI=1S/C15H21NS/c1-3-4-5-9-14(16-2)13-11-17-15-10-7-6-8-12(13)15/h3,6-8,10,13-14,16H,1,4-5,9,11H2,2H3
InChIKeyCZSUSDDNFMIYHW-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.82
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-3-yl)hex-5-en-1-amine
CID 105153134
1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156258
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984074
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 105156538
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylidenepentan-1-amine
CID 105163853
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105162705
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyloct-7-en-1-amine
CID 107009850
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylheptan-1-amine
CID 105125987
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-5-en-1-amine
CID 105153267
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105136455
1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105079433
1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105176241

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine (CID 105152995) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine?
The InChIKey is CZSUSDDNFMIYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-4-5-9-14(16-2)13-11-17-15-10-7-6-8-12(13)15/h3,6-8,10,13-14,16H,1,4-5,9,11H2,2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine has a molecular weight of 247.41 g/mol, XLogP of 3.82, 6 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)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 105152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).