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

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
CID 79127710
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(3,4-dimethylphenyl)ethanol
CID 79134930
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
CID 79128362
2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
CID 112680353
1-(4-methylcyclohexyl)-1-thiophen-2-ylethanol
CID 64749351
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
CID 116604219
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 79125689

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).