1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine

C12H16N2S — CID 116948479

IUPAC1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1csc2ccccc12
InChIInChI=1S/C12H16N2S/c1-14-11(6-7-13)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,14H,6-7,13H2,1H3
InChIKeyMWMPHMGONUVDFA-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.51
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine

1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine (PubChem CID 116948479) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
PubChem CID116948479
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN)c1csc2ccccc12
InChIInChI=1S/C12H16N2S/c1-14-11(6-7-13)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,14H,6-7,13H2,1H3
InChIKeyMWMPHMGONUVDFA-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
CID 83176448
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine (CID 116948479) is 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine is CNC(CCN)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine?
The InChIKey is MWMPHMGONUVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-14-11(6-7-13)10-8-15-12-5-3-2-4-9(10)12/h2-5,8,11,14H,6-7,13H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine?
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine has a molecular weight of 220.34 g/mol, XLogP of 2.51, 4 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)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).