2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide

C13H20IN3 — CID 111824737

IUPAC2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
SMILESCC1(C/N=C(\N)Nc2ccccc2)CCC1.I
InChIInChI=1S/C13H19N3.HI/c1-13(8-5-9-13)10-15-12(14)16-11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3,(H3,14,15,16);1H
InChIKeyGTTGXXFVMZIQHO-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.22
Rot. Bonds3

About 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide

2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 111824737) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID111824737
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
SMILESCC1(C/N=C(\N)Nc2ccccc2)CCC1.I
InChIInChI=1S/C13H19N3.HI/c1-13(8-5-9-13)10-15-12(14)16-11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3,(H3,14,15,16);1H
InChIKeyGTTGXXFVMZIQHO-UHFFFAOYSA-N
XLogP3.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.22
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'}

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Related Compounds

2-[(4-methyloxan-4-yl)methyl]-1-phenylguanidine
CID 113252878
1-(3,4-dimethylphenyl)-2-[(1-methylcyclobutyl)methyl]guanidine
CID 111824757
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
CID 110033010
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-methylcyclopentyl)methyl]guanidine
CID 111807732
2-[(1-hydroxycyclobutyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111801699
1-(3-ethylphenyl)-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801667
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111969293
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038829

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide (CID 111824737) is 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide is CC1(C/N=C(\N)Nc2ccccc2)CCC1.I.
What is the InChIKey of 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is GTTGXXFVMZIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c1-13(8-5-9-13)10-15-12(14)16-11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3,(H3,14,15,16);1H.
What are the key properties of 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide?
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111824737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).