1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine

C13H21NS — CID 107179421

IUPAC1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
SMILESCC1(C)CCCC1C(N)Cc1cccs1
InChIInChI=1S/C13H21NS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11-12H,3,6-7,9,14H2,1-2H3
InChIKeyKFHXYMJIBRZEQB-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine

1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine (PubChem CID 107179421) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
PubChem CID107179421
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
SMILESCC1(C)CCCC1C(N)Cc1cccs1
InChIInChI=1S/C13H21NS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11-12H,3,6-7,9,14H2,1-2H3
InChIKeyKFHXYMJIBRZEQB-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene
CID 107183538
1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861303
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189218
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine (CID 107179421) is 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine is CC1(C)CCCC1C(N)Cc1cccs1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine?
The InChIKey is KFHXYMJIBRZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11-12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine?
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107179421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).