1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine

C15H27N3OS — CID 111351434

IUPAC1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCCOC)NCCc1cccs1
InChIInChI=1S/C15H27N3OS/c1-3-16-15(17-10-5-4-6-12-19-2)18-11-9-14-8-7-13-20-14/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18)
InChIKeyVMAVPMUKXWXMIJ-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.66
Rot. Bonds10

About 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine

1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111351434) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID111351434
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCCOC)NCCc1cccs1
InChIInChI=1S/C15H27N3OS/c1-3-16-15(17-10-5-4-6-12-19-2)18-11-9-14-8-7-13-20-14/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18)
InChIKeyVMAVPMUKXWXMIJ-UHFFFAOYSA-N
XLogP2.66
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350617
1-ethyl-3-(3-methoxypropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110974619
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111494527
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111796451
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111766485
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349511
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349668
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(5-methoxypentyl)guanidine
CID 111197170
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110974425
1-ethyl-2-(4-morpholin-4-ylbutyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350381
2-[3-(benzenesulfonyl)propyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349410
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349898

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine (CID 111351434) is 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine is CCN/C(=N\CCCCCOC)NCCc1cccs1.
What is the InChIKey of 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is VMAVPMUKXWXMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-16-15(17-10-5-4-6-12-19-2)18-11-9-14-8-7-13-20-14/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine?
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 297.47 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111351434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).