3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine

C13H21NS — CID 64907667

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCc1ccc(CC2CCC(N)C2C)s1
InChIInChI=1S/C13H21NS/c1-3-11-5-6-12(15-11)8-10-4-7-13(14)9(10)2/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3
InChIKeyMYKCVJGVGGJQCH-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.23
Rot. Bonds3

About 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine

3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 64907667) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID64907667
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCc1ccc(CC2CCC(N)C2C)s1
InChIInChI=1S/C13H21NS/c1-3-11-5-6-12(15-11)8-10-4-7-13(14)9(10)2/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3
InChIKeyMYKCVJGVGGJQCH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-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

1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014857
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-one
CID 64906761
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81027975
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 64503209
2,5-diethylthiophene
CID 521294
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine (CID 64907667) is 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine is CCc1ccc(CC2CCC(N)C2C)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is MYKCVJGVGGJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-11-5-6-12(15-11)8-10-4-7-13(14)9(10)2/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64907667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).