2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine

C14H20FN3 — CID 62369078

IUPAC2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
SMILESCC(N/C(N)=N/C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-10(11-5-4-6-12(15)9-11)17-14(16)18-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H3,16,17,18)
InChIKeyPZYZOYFVQGGKCF-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.73
Rot. Bonds3

About 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine

2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine (PubChem CID 62369078) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
PubChem CID62369078
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
SMILESCC(N/C(N)=N/C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-10(11-5-4-6-12(15)9-11)17-14(16)18-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H3,16,17,18)
InChIKeyPZYZOYFVQGGKCF-UHFFFAOYSA-N
XLogP2.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.73
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-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine
CID 116514408
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine (CID 62369078) is 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine is CC(N/C(N)=N/C1CCCC1)c1cccc(F)c1.
What is the InChIKey of 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is PZYZOYFVQGGKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-10(11-5-4-6-12(15)9-11)17-14(16)18-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H3,16,17,18).
What are the key properties of 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine?
2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 249.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 62369078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).