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

C15H22N2S — CID 115136311

IUPAC1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1csc2ccccc12)CC(C)(C)N
InChIInChI=1S/C15H22N2S/c1-15(2,16)11-17(3)9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyCLDVFGGXOCWPDV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.11
Rot. Bonds5

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

1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136311) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136311
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1csc2ccccc12)CC(C)(C)N
InChIInChI=1S/C15H22N2S/c1-15(2,16)11-17(3)9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyCLDVFGGXOCWPDV-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)ethyl-methylcyanamide
CID 117043578
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 138045748
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyano-N-methylformamide
CID 115172721
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
2-[2-(1-benzothiophen-3-yl)ethylamino]-2-methylpropanenitrile
CID 115129637
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine
CID 81189937
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136311) is 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CN(CCc1csc2ccccc12)CC(C)(C)N.
What is the InChIKey of 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is CLDVFGGXOCWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-15(2,16)11-17(3)9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10H,8-9,11,16H2,1-3H3.
What are the key properties of 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).