3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine

C20H20N2S — CID 59831823

IUPAC3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2sccc2c1
InChIInChI=1S/C20H20N2S/c1-21-9-7-18(14-2-4-19-16(12-14)6-10-22-19)15-3-5-20-17(13-15)8-11-23-20/h2-6,8,10-13,18,21-22H,7,9H2,1H3
InChIKeyZTQWCDUYBQKETQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.12
Rot. Bonds5

About 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine

3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine (PubChem CID 59831823) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine
PubChem CID59831823
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2sccc2c1
InChIInChI=1S/C20H20N2S/c1-21-9-7-18(14-2-4-19-16(12-14)6-10-22-19)15-3-5-20-17(13-15)8-11-23-20/h2-6,8,10-13,18,21-22H,7,9H2,1H3
InChIKeyZTQWCDUYBQKETQ-UHFFFAOYSA-N
XLogP5.12
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine (CID 59831823) is 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine is CNCCC(c1ccc2[nH]ccc2c1)c1ccc2sccc2c1.
What is the InChIKey of 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine?
The InChIKey is ZTQWCDUYBQKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-21-9-7-18(14-2-4-19-16(12-14)6-10-22-19)15-3-5-20-17(13-15)8-11-23-20/h2-6,8,10-13,18,21-22H,7,9H2,1H3.
What are the key properties of 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine?
3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine has a molecular weight of 320.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-5-yl)-3-(1H-indol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 59831823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).