1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide

C11H20IN3S — CID 111673165

IUPAC1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(N)=N/CC(C)Cc1cccs1.I
InChIInChI=1S/C11H19N3S.HI/c1-3-13-11(12)14-8-9(2)7-10-5-4-6-15-10;/h4-6,9H,3,7-8H2,1-2H3,(H3,12,13,14);1H
InChIKeyVAMNZZVWRVGIKO-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.47
Rot. Bonds5

About 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide

1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111673165) has the molecular formula C11H20IN3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111673165
Molecular FormulaC11H20IN3S
Molecular Weight353.27 g/mol
Exact Mass353.04
IUPAC Name1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(N)=N/CC(C)Cc1cccs1.I
InChIInChI=1S/C11H19N3S.HI/c1-3-13-11(12)14-8-9(2)7-10-5-4-6-15-10;/h4-6,9H,3,7-8H2,1-2H3,(H3,12,13,14);1H
InChIKeyVAMNZZVWRVGIKO-UHFFFAOYSA-N
XLogP2.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111465195
2-(2-methyl-3-thiophen-2-ylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111820061
1-(2-methylprop-2-enyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 136926885
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111495559
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673634
1-ethyl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673325
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987590
N-[3-[[N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111674371
N-[3-[[N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111673216
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673642

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111673165) is 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide is CCN/C(N)=N/CC(C)Cc1cccs1.I.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is VAMNZZVWRVGIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.HI/c1-3-13-11(12)14-8-9(2)7-10-5-4-6-15-10;/h4-6,9H,3,7-8H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 353.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111673165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).