3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine

C13H21NOS — CID 103082789

IUPAC3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2ccc(C)s2)C1
InChIInChI=1S/C13H21NOS/c1-9-4-7-13(16-9)10(2)14-11-5-6-12(8-11)15-3/h4,7,10-12,14H,5-6,8H2,1-3H3
InChIKeyGOMOIYJGRYNRKH-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.27
Rot. Bonds4

About 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine

3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 103082789) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
PubChem CID103082789
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2ccc(C)s2)C1
InChIInChI=1S/C13H21NOS/c1-9-4-7-13(16-9)10(2)14-11-5-6-12(8-11)15-3/h4,7,10-12,14H,5-6,8H2,1-3H3
InChIKeyGOMOIYJGRYNRKH-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 55152081
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
CID 103082873
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082815
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
CID 115336297

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine (CID 103082789) is 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine is COC1CCC(NC(C)c2ccc(C)s2)C1.
What is the InChIKey of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is GOMOIYJGRYNRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-4-7-13(16-9)10(2)14-11-5-6-12(8-11)15-3/h4,7,10-12,14H,5-6,8H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine?
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103082789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).