1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine

C15H20FN3 — CID 120671550

IUPAC1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
SMILESCN(/C(N)=N/C1CC(c2ccccc2F)C1)C1CC1
InChIInChI=1S/C15H20FN3/c1-19(12-6-7-12)15(17)18-11-8-10(9-11)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3,(H2,17,18)
InChIKeyJBZJRKCDTUEFBG-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.48
Rot. Bonds3

About 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine

1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine (PubChem CID 120671550) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
PubChem CID120671550
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
SMILESCN(/C(N)=N/C1CC(c2ccccc2F)C1)C1CC1
InChIInChI=1S/C15H20FN3/c1-19(12-6-7-12)15(17)18-11-8-10(9-11)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3,(H2,17,18)
InChIKeyJBZJRKCDTUEFBG-UHFFFAOYSA-N
XLogP2.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine (CID 120671550) is 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine is CN(/C(N)=N/C1CC(c2ccccc2F)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine?
The InChIKey is JBZJRKCDTUEFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19(12-6-7-12)15(17)18-11-8-10(9-11)13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine?
1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine has a molecular weight of 261.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine is sourced from PubChem (CID 120671550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).