1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine

C14H17NS — CID 105001090

IUPAC1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cc2ccccc2s1
InChIInChI=1S/C14H17NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h4-8,10,12,15H,2-3,9H2,1H3
InChIKeyBVSYTGXSTNZDDS-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.13
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine

1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 105001090) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
PubChem CID105001090
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cc2ccccc2s1
InChIInChI=1S/C14H17NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h4-8,10,12,15H,2-3,9H2,1H3
InChIKeyBVSYTGXSTNZDDS-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.13
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-propylpropan-1-amine
CID 114980128
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115849242
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine (CID 105001090) is 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is BVSYTGXSTNZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h4-8,10,12,15H,2-3,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine?
1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 231.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105001090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).