2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine

C14H23NOS — CID 62725406

IUPAC2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cccs2)CCCC1
InChIInChI=1S/C14H23NOS/c1-16-9-8-15-12-14(6-2-3-7-14)11-13-5-4-10-17-13/h4-5,10,15H,2-3,6-9,11-12H2,1H3
InChIKeyFFRIPQKWSUJKRM-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.09
Rot. Bonds7

About 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine

2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine (PubChem CID 62725406) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
PubChem CID62725406
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cccs2)CCCC1
InChIInChI=1S/C14H23NOS/c1-16-9-8-15-12-14(6-2-3-7-14)11-13-5-4-10-17-13/h4-5,10,15H,2-3,6-9,11-12H2,1H3
InChIKeyFFRIPQKWSUJKRM-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508203

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine (CID 62725406) is 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine is COCCNCC1(Cc2cccs2)CCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is FFRIPQKWSUJKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-16-9-8-15-12-14(6-2-3-7-14)11-13-5-4-10-17-13/h4-5,10,15H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine?
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62725406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).