2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide

C12H18IN3O — CID 111428507

IUPAC2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccccc1OC1CCC1
InChIInChI=1S/C12H17N3O.HI/c13-12(14)15-8-9-4-1-2-7-11(9)16-10-5-3-6-10;/h1-2,4,7,10H,3,5-6,8H2,(H4,13,14,15);1H
InChIKeyLKCGSSHDQCTBRM-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide

2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 111428507) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
PubChem CID111428507
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccccc1OC1CCC1
InChIInChI=1S/C12H17N3O.HI/c13-12(14)15-8-9-4-1-2-7-11(9)16-10-5-3-6-10;/h1-2,4,7,10H,3,5-6,8H2,(H4,13,14,15);1H
InChIKeyLKCGSSHDQCTBRM-UHFFFAOYSA-N
XLogP2.01
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.01
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

N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111816443
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[(2-cyclobutyloxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111816435
N'-[(2-cyclobutyloxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119148017
2-[(2-cyclobutyloxyphenyl)methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119148013
1-butyl-2-[(2-cyclobutyloxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111625927
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-propylguanidine
CID 111625952
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127294
2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
CID 111791028
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111625872
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111465822

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide (CID 111428507) is 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide is I.NC(N)=NCc1ccccc1OC1CCC1.
What is the InChIKey of 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is LKCGSSHDQCTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.HI/c13-12(14)15-8-9-4-1-2-7-11(9)16-10-5-3-6-10;/h1-2,4,7,10H,3,5-6,8H2,(H4,13,14,15);1H.
What are the key properties of 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide?
2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 347.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111428507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).