N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine

C13H15NS — CID 104579324

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C13H15NS/c1-3-8-14-10(2)13-9-11-6-4-5-7-12(11)15-13/h3-7,9-10,14H,1,8H2,2H3
InChIKeyMUBUVNJOSXYBMS-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine

N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 104579324) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
PubChem CID104579324
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C13H15NS/c1-3-8-14-10(2)13-9-11-6-4-5-7-12(11)15-13/h3-7,9-10,14H,1,8H2,2H3
InChIKeyMUBUVNJOSXYBMS-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114910004
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
CID 105001090
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine (CID 104579324) is N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine is C=CCNC(C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is MUBUVNJOSXYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-8-14-10(2)13-9-11-6-4-5-7-12(11)15-13/h3-7,9-10,14H,1,8H2,2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 217.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 104579324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).