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

C13H23NOS — CID 115714840

IUPAC5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
SMILESCOCCCCCNC(C)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-11-7-10-16-13(11)12(2)14-8-5-4-6-9-15-3/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyVMLLWQRFFBRCDQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds8

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

5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine (PubChem CID 115714840) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
PubChem CID115714840
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
SMILESCOCCCCCNC(C)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-11-7-10-16-13(11)12(2)14-8-5-4-6-9-15-3/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyVMLLWQRFFBRCDQ-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
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

4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63993286
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine (CID 115714840) is 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine is COCCCCCNC(C)c1sccc1C.
What is the InChIKey of 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine?
The InChIKey is VMLLWQRFFBRCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11-7-10-16-13(11)12(2)14-8-5-4-6-9-15-3/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine?
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 115714840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).