N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine

C16H26BrNS — CID 65412607

IUPACN-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)C1CCC(CC)C1
InChIInChI=1S/C16H26BrNS/c1-3-7-18-16(10-15-9-14(17)11-19-15)13-6-5-12(4-2)8-13/h9,11-13,16,18H,3-8,10H2,1-2H3
InChIKeyOJIUCEOUDVRVFC-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.25
Rot. Bonds7

About N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine

N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine (PubChem CID 65412607) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
PubChem CID65412607
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)C1CCC(CC)C1
InChIInChI=1S/C16H26BrNS/c1-3-7-18-16(10-15-9-14(17)11-19-15)13-6-5-12(4-2)8-13/h9,11-13,16,18H,3-8,10H2,1-2H3
InChIKeyOJIUCEOUDVRVFC-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847651
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[2-(4-bromothiophen-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
CID 105139244
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine (CID 65412607) is N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)C1CCC(CC)C1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is OJIUCEOUDVRVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-3-7-18-16(10-15-9-14(17)11-19-15)13-6-5-12(4-2)8-13/h9,11-13,16,18H,3-8,10H2,1-2H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 344.36 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 65412607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).