5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine

C12H21NO2S — CID 115710643

IUPAC5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
SMILESCOCCCCCNCc1sccc1OC
InChIInChI=1S/C12H21NO2S/c1-14-8-5-3-4-7-13-10-12-11(15-2)6-9-16-12/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyCZCIRJAXXQLFNN-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.66
Rot. Bonds9

About 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine

5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine (PubChem CID 115710643) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
PubChem CID115710643
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
SMILESCOCCCCCNCc1sccc1OC
InChIInChI=1S/C12H21NO2S/c1-14-8-5-3-4-7-13-10-12-11(15-2)6-9-16-12/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyCZCIRJAXXQLFNN-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxythiophen-2-yl)methylamino]ethanol
CID 115710462
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 113407643
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 104868109
1-(5-methoxypentyl)-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893144
1-N-[(3-bromothiophen-2-yl)methyl]-5-methoxypentane-1,2-diamine
CID 81102533

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine (CID 115710643) is 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine is COCCCCCNCc1sccc1OC.
What is the InChIKey of 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine?
The InChIKey is CZCIRJAXXQLFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-14-8-5-3-4-7-13-10-12-11(15-2)6-9-16-12/h6,9,13H,3-5,7-8,10H2,1-2H3.
What are the key properties of 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine?
5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115710643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).