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

C15H22N2S — CID 116960844

IUPAC1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)C(NC)c1csc2ccccc12
InChIInChI=1S/C15H22N2S/c1-4-11(9-16-2)15(17-3)13-10-18-14-8-6-5-7-12(13)14/h5-8,10-11,15-17H,4,9H2,1-3H3
InChIKeyXXTGQRBDIJCCPC-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.41
Rot. Bonds6

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

1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116960844) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID116960844
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)C(NC)c1csc2ccccc12
InChIInChI=1S/C15H22N2S/c1-4-11(9-16-2)15(17-3)13-10-18-14-8-6-5-7-12(13)14/h5-8,10-11,15-17H,4,9H2,1-3H3
InChIKeyXXTGQRBDIJCCPC-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzothiophen-3-yl(methylamino)methyl]butanenitrile
CID 116960619
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
3-(1-bromo-2-ethylhexyl)-1-benzothiophene
CID 63441043
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43485809
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485769

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine (CID 116960844) is 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine is CCC(CNC)C(NC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is XXTGQRBDIJCCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-11(9-16-2)15(17-3)13-10-18-14-8-6-5-7-12(13)14/h5-8,10-11,15-17H,4,9H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116960844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).