N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine

C12H16N2S — CID 81146558

IUPACN'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cccc2ccsc12
InChIInChI=1S/C12H16N2S/c1-13-7-8-14(2)11-5-3-4-10-6-9-15-12(10)11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRFIHYZXBZXFYPN-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.56
Rot. Bonds4

About N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine

N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 81146558) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID81146558
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cccc2ccsc12
InChIInChI=1S/C12H16N2S/c1-13-7-8-14(2)11-5-3-4-10-6-9-15-12(10)11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRFIHYZXBZXFYPN-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine (CID 81146558) is N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cccc2ccsc12.
What is the InChIKey of N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RFIHYZXBZXFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-13-7-8-14(2)11-5-3-4-10-6-9-15-12(10)11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 220.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-7-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 81146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).