2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine

C13H18FN3 — CID 62362977

IUPAC2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine
SMILESCN(/C(N)=N/C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c1-17(12-8-4-5-10(14)9-12)13(15)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyRQTYBNGIMGMAHE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.52
Rot. Bonds2

About 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine

2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine (PubChem CID 62362977) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine
PubChem CID62362977
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine
SMILESCN(/C(N)=N/C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c1-17(12-8-4-5-10(14)9-12)13(15)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyRQTYBNGIMGMAHE-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.52
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 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine?
The IUPAC name of 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine (CID 62362977) is 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine?
The canonical SMILES for 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine is CN(/C(N)=N/C1CCCC1)c1cccc(F)c1.
What is the InChIKey of 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine?
The InChIKey is RQTYBNGIMGMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-17(12-8-4-5-10(14)9-12)13(15)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,15,16).
What are the key properties of 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine?
2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine has a molecular weight of 235.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-fluorophenyl)-1-methylguanidine is sourced from PubChem (CID 62362977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).