2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine

C13H21NOS — CID 115711130

IUPAC2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1sccc1OC
InChIInChI=1S/C13H21NOS/c1-3-10-5-4-6-11(10)14-9-13-12(15-2)7-8-16-13/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyXBPZNPXTLVILBP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.42
Rot. Bonds5

About 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine

2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 115711130) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID115711130
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1sccc1OC
InChIInChI=1S/C13H21NOS/c1-3-10-5-4-6-11(10)14-9-13-12(15-2)7-8-16-13/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyXBPZNPXTLVILBP-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxythiophen-2-yl)methylamino]cyclopentan-1-ol
CID 115710956
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
CID 43709373
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
tert-butyl N-[[2-[(3-bromothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103750525

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine (CID 115711130) is 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine is CCC1CCCC1NCc1sccc1OC.
What is the InChIKey of 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is XBPZNPXTLVILBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-10-5-4-6-11(10)14-9-13-12(15-2)7-8-16-13/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine?
2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 115711130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).