N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine

C18H25NS — CID 63450474

IUPACN-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
SMILESCc1c(C(C)NCCC2CCCC2)sc2ccccc12
InChIInChI=1S/C18H25NS/c1-13-16-9-5-6-10-17(16)20-18(13)14(2)19-12-11-15-7-3-4-8-15/h5-6,9-10,14-15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyQTYPJHKWGMXRJX-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.44
Rot. Bonds5

About N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine

N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine (PubChem CID 63450474) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
PubChem CID63450474
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
SMILESCc1c(C(C)NCCC2CCCC2)sc2ccccc12
InChIInChI=1S/C18H25NS/c1-13-16-9-5-6-10-17(16)20-18(13)14(2)19-12-11-15-7-3-4-8-15/h5-6,9-10,14-15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyQTYPJHKWGMXRJX-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine with MolForge

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Related Compounds

N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 62975731
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312
1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43765466
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
CID 106334491

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine (CID 63450474) is N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine is Cc1c(C(C)NCCC2CCCC2)sc2ccccc12.
What is the InChIKey of N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine?
The InChIKey is QTYPJHKWGMXRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-13-16-9-5-6-10-17(16)20-18(13)14(2)19-12-11-15-7-3-4-8-15/h5-6,9-10,14-15,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine?
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine has a molecular weight of 287.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 63450474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).