1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine

C14H18FN3 — CID 122126009

IUPAC1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine
SMILESN/C(=N\C1CC1(F)c1ccccc1)NC1CCC1
InChIInChI=1S/C14H18FN3/c15-14(10-5-2-1-3-6-10)9-12(14)18-13(16)17-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9H2,(H3,16,17,18)
InChIKeyPQMCBHJRWNNPTP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.08
Rot. Bonds3

About 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine

1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine (PubChem CID 122126009) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine
PubChem CID122126009
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine
SMILESN/C(=N\C1CC1(F)c1ccccc1)NC1CCC1
InChIInChI=1S/C14H18FN3/c15-14(10-5-2-1-3-6-10)9-12(14)18-13(16)17-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9H2,(H3,16,17,18)
InChIKeyPQMCBHJRWNNPTP-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.08
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-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide
CID 122126016
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
CID 122096278
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
CID 130625535
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 76978536
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
CID 122096119
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine (CID 122126009) is 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine is N/C(=N\C1CC1(F)c1ccccc1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine?
The InChIKey is PQMCBHJRWNNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-14(10-5-2-1-3-6-10)9-12(14)18-13(16)17-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9H2,(H3,16,17,18).
What are the key properties of 1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine?
1-cyclobutyl-2-(2-fluoro-2-phenylcyclopropyl)guanidine has a molecular weight of 247.32 g/mol, XLogP of 2.08, 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-fluoro-2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 122126009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).