1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide

C11H20IN3S — CID 111225748

IUPAC1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCCCN/C(=N/Cc1ccsc1)NCC.I
InChIInChI=1S/C11H19N3S.HI/c1-3-6-13-11(12-4-2)14-8-10-5-7-15-9-10;/h5,7,9H,3-4,6,8H2,1-2H3,(H2,12,13,14);1H
InChIKeyQNKBDIYLSRFQKM-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide

1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide (PubChem CID 111225748) has the molecular formula C11H20IN3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
PubChem CID111225748
Molecular FormulaC11H20IN3S
Molecular Weight353.27 g/mol
Exact Mass353.04
IUPAC Name1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCCCN/C(=N/Cc1ccsc1)NCC.I
InChIInChI=1S/C11H19N3S.HI/c1-3-6-13-11(12-4-2)14-8-10-5-7-15-9-10;/h5,7,9H,3-4,6,8H2,1-2H3,(H2,12,13,14);1H
InChIKeyQNKBDIYLSRFQKM-UHFFFAOYSA-N
XLogP2.83
TPSA36.42 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 ≤ 52.83
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-[2-(diethylamino)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941186
1-ethyl-3-(2-methylsulfanylethyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111343647
1-ethyl-3-(2-phenylethyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111135395
1-tert-butyl-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 110964445
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939436
N,N-dimethyl-2-[[N-propyl-N'-(thiophen-3-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111777848
1-(3-anilinopropyl)-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939426
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111170478
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111999714
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940696
methyl 6-[[N-ethyl-N'-(thiophen-3-ylmethyl)carbamimidoyl]amino]hexanoate;hydroiodide
CID 111938946
1-ethyl-3-(3-methylbutan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111000522

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide (CID 111225748) is 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide is CCCN/C(=N/Cc1ccsc1)NCC.I.
What is the InChIKey of 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is QNKBDIYLSRFQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.HI/c1-3-6-13-11(12-4-2)14-8-10-5-7-15-9-10;/h5,7,9H,3-4,6,8H2,1-2H3,(H2,12,13,14);1H.
What are the key properties of 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 353.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111225748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).