1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine

C11H18F3N3 — CID 120973501

IUPAC1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(C(F)(F)F)CCC1
InChIInChI=1S/C11H18F3N3/c1-8(2)6-16-9(15)17-7-10(4-3-5-10)11(12,13)14/h1,3-7H2,2H3,(H3,15,16,17)
InChIKeyQDJVLZDGTYGRBT-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine

1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine (PubChem CID 120973501) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
PubChem CID120973501
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC1(C(F)(F)F)CCC1
InChIInChI=1S/C11H18F3N3/c1-8(2)6-16-9(15)17-7-10(4-3-5-10)11(12,13)14/h1,3-7H2,2H3,(H3,15,16,17)
InChIKeyQDJVLZDGTYGRBT-UHFFFAOYSA-N
XLogP2.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.20
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'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112412213
2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine
CID 112412214
2-[[1-(Difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 120662420
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine
CID 120973289
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 120973500
1-[2-(1-Fluorocyclobutyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 121767516
1-Prop-2-enyl-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
CID 121830529
1-(2-Methylpropyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
CID 121830532
1-[(3,3-Difluorocyclobutyl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 121855791
1-[(3,3-Difluorocyclobutyl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 121855792
1-[2-(3,3-Difluorocyclobutyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 122098384
1-(5,5-Dimethylhexyl)-2-(2-methylprop-2-enyl)guanidine
CID 111101445

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine (CID 120973501) is 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine is C=C(C)CN/C(N)=N/CC1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine?
The InChIKey is QDJVLZDGTYGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-8(2)6-16-9(15)17-7-10(4-3-5-10)11(12,13)14/h1,3-7H2,2H3,(H3,15,16,17).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine?
1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine has a molecular weight of 249.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine is sourced from PubChem (CID 120973501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).