N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine

C13H23NOS — CID 65305199

IUPACN-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCOCCNCCCCCc1sccc1C
InChIInChI=1S/C13H23NOS/c1-12-7-11-16-13(12)6-4-3-5-8-14-9-10-15-2/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyPJXZXGHNYDLWEA-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.01
Rot. Bonds9

About N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine

N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine (PubChem CID 65305199) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
PubChem CID65305199
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCOCCNCCCCCc1sccc1C
InChIInChI=1S/C13H23NOS/c1-12-7-11-16-13(12)6-4-3-5-8-14-9-10-15-2/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyPJXZXGHNYDLWEA-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.01
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-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-hexyl-3-methylthiophene
CID 69043695
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
CID 115710643
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine (CID 65305199) is N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine is COCCNCCCCCc1sccc1C.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine?
The InChIKey is PJXZXGHNYDLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-12-7-11-16-13(12)6-4-3-5-8-14-9-10-15-2/h7,11,14H,3-6,8-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine?
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 65305199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).