1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine

C17H26FN3 — CID 110992281

IUPAC1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)(C)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C17H26FN3/c1-17(2,13-8-10-14(18)11-9-13)12-20-16(19-3)21-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H2,19,20,21)
InChIKeyOMWYECVOVPSLNL-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.21
Rot. Bonds4

About 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine

1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine (PubChem CID 110992281) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
PubChem CID110992281
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)(C)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C17H26FN3/c1-17(2,13-8-10-14(18)11-9-13)12-20-16(19-3)21-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H2,19,20,21)
InChIKeyOMWYECVOVPSLNL-UHFFFAOYSA-N
XLogP3.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.21
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-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110933882
1-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111125676
N-cyclohexyl-2-[[N-[2-(3-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111625372
1-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179684
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-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111790988
1-cyclohexyl-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 110958449
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
ethyl 4-[[N-[2-(3-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111795918
1-cyclohexyl-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966589

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine (CID 110992281) is 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine is C/N=C(\NCC(C)(C)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine?
The InChIKey is OMWYECVOVPSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-17(2,13-8-10-14(18)11-9-13)12-20-16(19-3)21-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine has a molecular weight of 291.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine is sourced from PubChem (CID 110992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).