2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine

C19H27NS — CID 115823821

IUPAC2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)C1(CC)CCCC1
InChIInChI=1S/C19H27NS/c1-3-19(11-7-8-12-19)18(20-4-2)13-15-14-21-17-10-6-5-9-16(15)17/h5-6,9-10,14,18,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyNMLRHIPTJIOAGP-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.39
Rot. Bonds6

About 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine

2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (PubChem CID 115823821) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
PubChem CID115823821
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)C1(CC)CCCC1
InChIInChI=1S/C19H27NS/c1-3-19(11-7-8-12-19)18(20-4-2)13-15-14-21-17-10-6-5-9-16(15)17/h5-6,9-10,14,18,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyNMLRHIPTJIOAGP-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine with MolForge

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Related Compounds

[2-(1-benzothiophen-3-yl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256128
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine (CID 115823821) is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is CCNC(Cc1csc2ccccc12)C1(CC)CCCC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
The InChIKey is NMLRHIPTJIOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-19(11-7-8-12-19)18(20-4-2)13-15-14-21-17-10-6-5-9-16(15)17/h5-6,9-10,14,18,20H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine?
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 115823821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).