2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol

C13H21NOS — CID 79861440

IUPAC2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
SMILESCC1(C)CCCC1NCC(O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-13(2)7-3-6-12(13)14-9-10(15)11-5-4-8-16-11/h4-5,8,10,12,14-15H,3,6-7,9H2,1-2H3
InChIKeyVMTMCJVYJFEMBS-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.95
Rot. Bonds4

About 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol

2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol (PubChem CID 79861440) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
PubChem CID79861440
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
SMILESCC1(C)CCCC1NCC(O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-13(2)7-3-6-12(13)14-9-10(15)11-5-4-8-16-11/h4-5,8,10,12,14-15H,3,6-7,9H2,1-2H3
InChIKeyVMTMCJVYJFEMBS-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
CID 81339661
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-thiophen-2-ylethanol
CID 54967833

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol (CID 79861440) is 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol is CC1(C)CCCC1NCC(O)c1cccs1.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol?
The InChIKey is VMTMCJVYJFEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2)7-3-6-12(13)14-9-10(15)11-5-4-8-16-11/h4-5,8,10,12,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol?
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol has a molecular weight of 239.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 79861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).