2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine

C14H20FN3 — CID 62361848

IUPAC2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
SMILESCN(Cc1ccc(F)cc1)/C(N)=N/C1CCCC1
InChIInChI=1S/C14H20FN3/c1-18(10-11-6-8-12(15)9-7-11)14(16)17-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H2,16,17)
InChIKeyHWZSWEPINUINQG-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.51
Rot. Bonds3

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

2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine (PubChem CID 62361848) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
PubChem CID62361848
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
SMILESCN(Cc1ccc(F)cc1)/C(N)=N/C1CCCC1
InChIInChI=1S/C14H20FN3/c1-18(10-11-6-8-12(15)9-7-11)14(16)17-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H2,16,17)
InChIKeyHWZSWEPINUINQG-UHFFFAOYSA-N
XLogP2.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.51
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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Related Compounds

2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine
CID 55063632
3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 116513032
2-cyclopropyl-1-ethyl-1-(4-fluorophenyl)guanidine
CID 62362594
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 62482069
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 62362340
6-[(4-fluorophenyl)methyl-methylamino]-2,2-dimethylcyclohexan-1-ol
CID 79835548
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
N-cyclohexyl-2-[[ethylamino-[(4-fluorophenyl)methyl-methylamino]methylidene]amino]acetamide
CID 111307762
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine?
The IUPAC name of 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine (CID 62361848) is 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine?
The canonical SMILES for 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine is CN(Cc1ccc(F)cc1)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine?
The InChIKey is HWZSWEPINUINQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-18(10-11-6-8-12(15)9-7-11)14(16)17-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H2,16,17).
What are the key properties of 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine?
2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine has a molecular weight of 249.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 62361848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).