1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine

C13H18FN3 — CID 111025727

IUPAC1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(F)cc1)NCC1CCC1
InChIInChI=1S/C13H18FN3/c14-12-6-4-11(5-7-12)9-17-13(15)16-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H3,15,16,17)
InChIKeyFQKPNEHLQOFNHK-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.03
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine (PubChem CID 111025727) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
PubChem CID111025727
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(F)cc1)NCC1CCC1
InChIInChI=1S/C13H18FN3/c14-12-6-4-11(5-7-12)9-17-13(15)16-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H3,15,16,17)
InChIKeyFQKPNEHLQOFNHK-UHFFFAOYSA-N
XLogP2.03
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.03
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'}

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Related Compounds

1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816
1-(cyclobutylmethyl)-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111039023
2-[(4-bromo-3-fluorophenyl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111086716
2-[(3-bromo-5-fluorophenyl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111076970
1-(cyclobutylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036389
1-(cyclobutylmethyl)-2-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111089846
4-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 111048600
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051695
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
1-(cyclobutylmethyl)-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 111068517
1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047028
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091583

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine (CID 111025727) is 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine is N/C(=N\Cc1ccc(F)cc1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine?
The InChIKey is FQKPNEHLQOFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c14-12-6-4-11(5-7-12)9-17-13(15)16-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H3,15,16,17).
What are the key properties of 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine has a molecular weight of 235.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 111025727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).