2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine

C16H21F2N3 — CID 122098326

IUPAC2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine
SMILESCC(C)(C/N=C(\N)Nc1cc(F)ccc1F)C1=CCCC1
InChIInChI=1S/C16H21F2N3/c1-16(2,11-5-3-4-6-11)10-20-15(19)21-14-9-12(17)7-8-13(14)18/h5,7-9H,3-4,6,10H2,1-2H3,(H3,19,20,21)
InChIKeyGPTYNFJWFKGYKN-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.83
Rot. Bonds4

About 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine

2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine (PubChem CID 122098326) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine
PubChem CID122098326
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine
SMILESCC(C)(C/N=C(\N)Nc1cc(F)ccc1F)C1=CCCC1
InChIInChI=1S/C16H21F2N3/c1-16(2,11-5-3-4-6-11)10-20-15(19)21-14-9-12(17)7-8-13(14)18/h5,7-9H,3-4,6,10H2,1-2H3,(H3,19,20,21)
InChIKeyGPTYNFJWFKGYKN-UHFFFAOYSA-N
XLogP3.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.83
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine 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-(2,5-difluorophenyl)-2-methylguanidine
CID 62379981
1-cyclobutyl-2-[2-(cyclohexen-1-yl)-2-methylpropyl]guanidine
CID 122095418
2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
2-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-(2,5-difluorophenyl)guanidine
CID 122098759
1-(2,5-difluorophenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099377
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
1-(2,5-difluorophenyl)-2-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]guanidine
CID 122082845
1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101349
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine
CID 122097384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine?
The IUPAC name of 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine (CID 122098326) is 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine is CC(C)(C/N=C(\N)Nc1cc(F)ccc1F)C1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine?
The InChIKey is GPTYNFJWFKGYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-16(2,11-5-3-4-6-11)10-20-15(19)21-14-9-12(17)7-8-13(14)18/h5,7-9H,3-4,6,10H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine?
2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine has a molecular weight of 293.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine is sourced from PubChem (CID 122098326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).