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

C16H24FN3 — CID 110992329

IUPAC1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C16H24FN3/c1-2-18-16(20-15-8-3-4-9-15)19-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H2,18,19,20)
InChIKeyYRJDQOGWHWDPHE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.87
Rot. Bonds5

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

1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine (PubChem CID 110992329) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
PubChem CID110992329
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C16H24FN3/c1-2-18-16(20-15-8-3-4-9-15)19-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H2,18,19,20)
InChIKeyYRJDQOGWHWDPHE-UHFFFAOYSA-N
XLogP2.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.87
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-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110989245
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110987226
1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 110988488
N-cyclopentyl-3-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]propanamide
CID 111396207
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318039
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 75424046
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668685
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111549026

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine (CID 110992329) is 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine is CCN/C(=N\CCc1cccc(F)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is YRJDQOGWHWDPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-18-16(20-15-8-3-4-9-15)19-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 277.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 110992329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).