2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine

C15H25N3OS — CID 111089993

IUPAC2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCOC1CCCC1)NCCc1cccs1
InChIInChI=1S/C15H25N3OS/c16-15(18-10-8-14-7-3-12-20-14)17-9-4-11-19-13-5-1-2-6-13/h3,7,12-13H,1-2,4-6,8-11H2,(H3,16,17,18)
InChIKeyOGEQGPABOSUUNG-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.54
Rot. Bonds8

About 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine

2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111089993) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111089993
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCOC1CCCC1)NCCc1cccs1
InChIInChI=1S/C15H25N3OS/c16-15(18-10-8-14-7-3-12-20-14)17-9-4-11-19-13-5-1-2-6-13/h3,7,12-13H,1-2,4-6,8-11H2,(H3,16,17,18)
InChIKeyOGEQGPABOSUUNG-UHFFFAOYSA-N
XLogP2.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.54
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

2-[3-(oxan-4-yloxy)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111819463
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350
2-[3-(oxolan-3-ylmethoxy)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111818568
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-(oxan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119120012
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
2-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122098466
2-(thiolan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119161102
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine (CID 111089993) is 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCCOC1CCCC1)NCCc1cccs1.
What is the InChIKey of 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is OGEQGPABOSUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c16-15(18-10-8-14-7-3-12-20-14)17-9-4-11-19-13-5-1-2-6-13/h3,7,12-13H,1-2,4-6,8-11H2,(H3,16,17,18).
What are the key properties of 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine?
2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 295.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111089993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).