2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine

C13H21NS — CID 81155881

IUPAC2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCC2)s1
InChIInChI=1S/C13H21NS/c1-9-7-10(2)15-13(9)12(14)8-11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeySWEMGKYKGJCMCV-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.95
Rot. Bonds3

About 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine

2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 81155881) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
PubChem CID81155881
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCC2)s1
InChIInChI=1S/C13H21NS/c1-9-7-10(2)15-13(9)12(14)8-11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeySWEMGKYKGJCMCV-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914
2-[bromo(cycloheptyl)methyl]-3,5-dimethylthiophene
CID 81157820
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
2-[bromo(cyclobutyl)methyl]-3,5-dimethylthiophene
CID 81158372
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
CID 81156786

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine (CID 81155881) is 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C)c(C(N)CC2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is SWEMGKYKGJCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-7-10(2)15-13(9)12(14)8-11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine?
2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 81155881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).