1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

C13H24F3N3O — CID 109474213

IUPAC1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC1(CCOC)CCC1
InChIInChI=1S/C13H24F3N3O/c1-17-11(18-8-6-13(14,15)16)19-10-12(4-3-5-12)7-9-20-2/h3-10H2,1-2H3,(H2,17,18,19)
InChIKeyLPAVVDIOLUWCSW-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.31
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109474213) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109474213
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC1(CCOC)CCC1
InChIInChI=1S/C13H24F3N3O/c1-17-11(18-8-6-13(14,15)16)19-10-12(4-3-5-12)7-9-20-2/h3-10H2,1-2H3,(H2,17,18,19)
InChIKeyLPAVVDIOLUWCSW-UHFFFAOYSA-N
XLogP2.31
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474230
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-(3-methoxypropyl)-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111759040
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473962
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471903
tert-butyl 3-[[N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465876
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
CID 109470204
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473075

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109474213) is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCC(F)(F)F)NCC1(CCOC)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is LPAVVDIOLUWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-17-11(18-8-6-13(14,15)16)19-10-12(4-3-5-12)7-9-20-2/h3-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 295.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109474213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).