1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine

C15H20F3N3 — CID 122082577

IUPAC1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
SMILESCC(C)N/C(N)=N/C1CC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3/c1-9(2)20-14(19)21-13-7-11(8-13)10-4-3-5-12(6-10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyQZWVOSUYFHNLKT-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.26
Rot. Bonds3

About 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine

1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine (PubChem CID 122082577) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
PubChem CID122082577
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
SMILESCC(C)N/C(N)=N/C1CC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3/c1-9(2)20-14(19)21-13-7-11(8-13)10-4-3-5-12(6-10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyQZWVOSUYFHNLKT-UHFFFAOYSA-N
XLogP3.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.26
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

N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
2-(2-methylprop-2-enyl)-1-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 120671733
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-(2-methylprop-2-enyl)-1-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine;hydroiodide
CID 120671732
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-(oxolan-2-ylmethyl)-1-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082572
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
methyl (3S,5R)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 97053978

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine?
The IUPAC name of 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine (CID 122082577) is 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine.
What is the SMILES notation for 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine?
The canonical SMILES for 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine is CC(C)N/C(N)=N/C1CC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine?
The InChIKey is QZWVOSUYFHNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-9(2)20-14(19)21-13-7-11(8-13)10-4-3-5-12(6-10)15(16,17)18/h3-6,9,11,13H,7-8H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine?
1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine has a molecular weight of 299.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine is sourced from PubChem (CID 122082577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).