1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine

C15H21N3OS — CID 111790014

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-3-16-15(18-11-13-6-4-8-19-13)17-10-12(2)14-7-5-9-20-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyZQSWANIUFDIGRJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.20
Rot. Bonds6

About 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine

1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine (PubChem CID 111790014) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
PubChem CID111790014
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-3-16-15(18-11-13-6-4-8-19-13)17-10-12(2)14-7-5-9-20-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyZQSWANIUFDIGRJ-UHFFFAOYSA-N
XLogP3.20
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-thiophen-2-ylpropyl)guanidine
CID 111983589
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111491493
N-[3-[[N-ethyl-N'-(furan-2-ylmethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 110938228
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111178780
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938826
2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111284411
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938324
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109494302

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine (CID 111790014) is 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(C)c1cccs1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine?
The InChIKey is ZQSWANIUFDIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-16-15(18-11-13-6-4-8-19-13)17-10-12(2)14-7-5-9-20-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine has a molecular weight of 291.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 111790014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).