1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol

C13H21NOS — CID 79135673

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol
SMILESCC1CCC(CN)(C(C)(O)c2cccs2)C1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(8-10,9-14)12(2,15)11-4-3-7-16-11/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3
InChIKeyHADNNNNZZKIKOE-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.72
Rot. Bonds3

About 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol

1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol (PubChem CID 79135673) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol
PubChem CID79135673
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol
SMILESCC1CCC(CN)(C(C)(O)c2cccs2)C1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(8-10,9-14)12(2,15)11-4-3-7-16-11/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3
InChIKeyHADNNNNZZKIKOE-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol (CID 79135673) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol is CC1CCC(CN)(C(C)(O)c2cccs2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol?
The InChIKey is HADNNNNZZKIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-5-6-13(8-10,9-14)12(2,15)11-4-3-7-16-11/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol has a molecular weight of 239.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 79135673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).