1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C9H18IN3 — CID 131101960

IUPAC1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NC1CCC1.I
InChIInChI=1S/C9H17N3.HI/c1-7(2)6-11-9(10)12-8-4-3-5-8;/h8H,1,3-6H2,2H3,(H3,10,11,12);1H
InChIKeyRTDGGLLHZNJTKG-UHFFFAOYSA-N
MW295.17 g/mol
LogP1.64
Rot. Bonds3

About 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 131101960) has the molecular formula C9H18IN3 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID131101960
Molecular FormulaC9H18IN3
Molecular Weight295.17 g/mol
Exact Mass295.05
IUPAC Name1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NC1CCC1.I
InChIInChI=1S/C9H17N3.HI/c1-7(2)6-11-9(10)12-8-4-3-5-8;/h8H,1,3-6H2,2H3,(H3,10,11,12);1H
InChIKeyRTDGGLLHZNJTKG-UHFFFAOYSA-N
XLogP1.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 51.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120514535
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
CID 120514536
2-(3-Methylbut-2-enyl)-1-propan-2-ylguanidine
CID 103517453
1-[4-(Diethylamino)butyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111060026
1-[3-[Di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111691843
1-Cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
2-(2-Methylprop-2-enyl)-1-propylguanidine
CID 115612298
1-Cyclopentyl-2-(2-methylprop-2-enyl)guanidine
CID 115626495
2-(2-Methylprop-2-enyl)-1-propan-2-ylguanidine
CID 115626498
1-Butan-2-yl-2-cyclobutylguanidine;hydroiodide
CID 130685358
1-Ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 130715003
1-Ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 130715004

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 131101960) is 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NC1CCC1.I.
What is the InChIKey of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is RTDGGLLHZNJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.HI/c1-7(2)6-11-9(10)12-8-4-3-5-8;/h8H,1,3-6H2,2H3,(H3,10,11,12);1H.
What are the key properties of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 295.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 131101960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).