N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine

C14H25NOS — CID 62598298

IUPACN-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCC(C)CCCOCCNCCc1ccsc1
InChIInChI=1S/C14H25NOS/c1-13(2)4-3-9-16-10-8-15-7-5-14-6-11-17-12-14/h6,11-13,15H,3-5,7-10H2,1-2H3
InChIKeyXCQMGUFKAPAPPP-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.33
Rot. Bonds10

About N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine

N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 62598298) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
PubChem CID62598298
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCC(C)CCCOCCNCCc1ccsc1
InChIInChI=1S/C14H25NOS/c1-13(2)4-3-9-16-10-8-15-7-5-14-6-11-17-12-14/h6,11-13,15H,3-5,7-10H2,1-2H3
InChIKeyXCQMGUFKAPAPPP-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.33
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

3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine (CID 62598298) is N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine is CC(C)CCCOCCNCCc1ccsc1.
What is the InChIKey of N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is XCQMGUFKAPAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-13(2)4-3-9-16-10-8-15-7-5-14-6-11-17-12-14/h6,11-13,15H,3-5,7-10H2,1-2H3.
What are the key properties of N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 255.43 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62598298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).