2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C11H20IN3S — CID 111023170

IUPAC2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCCC/N=C(\N)NCCc1cccs1.I
InChIInChI=1S/C11H19N3S.HI/c1-2-3-7-13-11(12)14-8-6-10-5-4-9-15-10;/h4-5,9H,2-3,6-8H2,1H3,(H3,12,13,14);1H
InChIKeyMKJUHRZDZLPLIL-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.61
Rot. Bonds6

About 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111023170) has the molecular formula C11H20IN3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111023170
Molecular FormulaC11H20IN3S
Molecular Weight353.27 g/mol
Exact Mass353.04
IUPAC Name2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCCC/N=C(\N)NCCc1cccs1.I
InChIInChI=1S/C11H19N3S.HI/c1-2-3-7-13-11(12)14-8-6-10-5-4-9-15-10;/h4-5,9H,2-3,6-8H2,1H3,(H3,12,13,14);1H
InChIKeyMKJUHRZDZLPLIL-UHFFFAOYSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[4-(diethylamino)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111059984
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-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111098800
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111812324
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111096493

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111023170) is 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCCC/N=C(\N)NCCc1cccs1.I.
What is the InChIKey of 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is MKJUHRZDZLPLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.HI/c1-2-3-7-13-11(12)14-8-6-10-5-4-9-15-10;/h4-5,9H,2-3,6-8H2,1H3,(H3,12,13,14);1H.
What are the key properties of 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 353.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111023170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).