1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine

C14H20FN3 — CID 110992731

IUPAC1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C14H20FN3/c1-16-14(18-13-7-2-3-8-13)17-10-11-5-4-6-12(15)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,16,17,18)
InChIKeyVMECLFSYLVMPNW-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.43
Rot. Bonds3

About 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine

1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 110992731) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
PubChem CID110992731
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C14H20FN3/c1-16-14(18-13-7-2-3-8-13)17-10-11-5-4-6-12(15)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,16,17,18)
InChIKeyVMECLFSYLVMPNW-UHFFFAOYSA-N
XLogP2.43
TPSA36.42 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 ≤ 52.43
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'}

Analyze 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
1-cyclopropyl-3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110933864
1-cyclopentyl-3-[[3-(dimethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110992770
1-cyclopentyl-3-[(3-fluoro-4-hydroxyphenyl)methyl]-2-methylguanidine
CID 111790933
1-cyclohexyl-3-[(3-ethoxyphenyl)methyl]-2-methylguanidine
CID 110956920
1-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111869556
1-cyclopentyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111779634
1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111546661
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 110959339
N-[3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]acetamide;hydroiodide
CID 75369581
1-benzyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954919

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine (CID 110992731) is 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine is C/N=C(\NCc1cccc(F)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is VMECLFSYLVMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-16-14(18-13-7-2-3-8-13)17-10-11-5-4-6-12(15)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 249.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 110992731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).