N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine

C13H18N2S — CID 115251280

IUPACN'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNc1csc2ccccc12
InChIInChI=1S/C13H18N2S/c1-2-10(7-14)8-15-12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,15H,2,7-8,14H2,1H3
InChIKeyYZZXDFWFEKTGRU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.30
Rot. Bonds5

About N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine

N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine (PubChem CID 115251280) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
PubChem CID115251280
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNc1csc2ccccc12
InChIInChI=1S/C13H18N2S/c1-2-10(7-14)8-15-12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,15H,2,7-8,14H2,1H3
InChIKeyYZZXDFWFEKTGRU-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(1-benzothiophen-3-yl)ethyl]-2-ethylpropane-1,3-diamine
CID 115251699
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115251177
5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
CID 115122593
7-amino-1-(1-benzothiophen-3-yl)-5-ethylheptan-2-one
CID 116578159
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
CID 131233393
2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
CID 116853574
4-(1-benzothiophen-3-ylamino)-3,3-dimethylbutanoic acid
CID 115220236
3-(propylamino)thiochromen-4-one
CID 53016922
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204843
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine (CID 115251280) is N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine is CCC(CN)CNc1csc2ccccc12.
What is the InChIKey of N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine?
The InChIKey is YZZXDFWFEKTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-10(7-14)8-15-12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,15H,2,7-8,14H2,1H3.
What are the key properties of N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine?
N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine has a molecular weight of 234.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine is sourced from PubChem (CID 115251280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).