1-butan-2-yl-2-cyclobutylguanidine;hydroiodide

C9H20IN3 — CID 130685358

IUPAC1-butan-2-yl-2-cyclobutylguanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/C1CCC1.I
InChIInChI=1S/C9H19N3.HI/c1-3-7(2)11-9(10)12-8-5-4-6-8;/h7-8H,3-6H2,1-2H3,(H3,10,11,12);1H
InChIKeyXVAJDTQBHJYEOZ-UHFFFAOYSA-N
MW297.18 g/mol
LogP1.86
Rot. Bonds3

About 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide

1-butan-2-yl-2-cyclobutylguanidine;hydroiodide (PubChem CID 130685358) has the molecular formula C9H20IN3 and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-cyclobutylguanidine;hydroiodide
PubChem CID130685358
Molecular FormulaC9H20IN3
Molecular Weight297.18 g/mol
Exact Mass297.07
IUPAC Name1-butan-2-yl-2-cyclobutylguanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/C1CCC1.I
InChIInChI=1S/C9H19N3.HI/c1-3-7(2)11-9(10)12-8-5-4-6-8;/h7-8H,3-6H2,1-2H3,(H3,10,11,12);1H
InChIKeyXVAJDTQBHJYEOZ-UHFFFAOYSA-N
XLogP1.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

Analyze 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide (CID 130685358) is 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide is CCC(C)N/C(N)=N/C1CCC1.I.
What is the InChIKey of 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide?
The InChIKey is XVAJDTQBHJYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.HI/c1-3-7(2)11-9(10)12-8-5-4-6-8;/h7-8H,3-6H2,1-2H3,(H3,10,11,12);1H.
What are the key properties of 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide?
1-butan-2-yl-2-cyclobutylguanidine;hydroiodide has a molecular weight of 297.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-cyclobutylguanidine;hydroiodide is sourced from PubChem (CID 130685358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).