N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine

C16H24N2S — CID 62424421

IUPACN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2S/c1-3-5-10-18(4-2)12-14-13-8-6-7-9-15(13)19-16(14)11-17/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyRSELNSUTOURLHP-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.98
Rot. Bonds7

About N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine (PubChem CID 62424421) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
PubChem CID62424421
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2S/c1-3-5-10-18(4-2)12-14-13-8-6-7-9-15(13)19-16(14)11-17/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyRSELNSUTOURLHP-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62418991
2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine
CID 62459329
N-[[3-[[ethyl(propyl)amino]methyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62422891
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
CID 62433366
N-ethyl-2-methoxy-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethanamine
CID 62436475
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79490617
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987779
[3-[(3,5-diethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 82699302
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82753721
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62447588
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine (CID 62424421) is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1c(CN)sc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine?
The InChIKey is RSELNSUTOURLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-5-10-18(4-2)12-14-13-8-6-7-9-15(13)19-16(14)11-17/h6-9H,3-5,10-12,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine?
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 62424421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).