1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine

C15H28F3N3 — CID 109469267

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCCCC(F)(F)F
InChIInChI=1S/C15H28F3N3/c1-3-14(8-7-9-14)12-21-13(19-4-2)20-11-6-5-10-15(16,17)18/h3-12H2,1-2H3,(H2,19,20,21)
InChIKeyDGIWIEYZMUYEOA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.85
Rot. Bonds8

About 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine (PubChem CID 109469267) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
PubChem CID109469267
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCCCC(F)(F)F
InChIInChI=1S/C15H28F3N3/c1-3-14(8-7-9-14)12-21-13(19-4-2)20-11-6-5-10-15(16,17)18/h3-12H2,1-2H3,(H2,19,20,21)
InChIKeyDGIWIEYZMUYEOA-UHFFFAOYSA-N
XLogP3.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 101338774
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109468572
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109468573
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109468694
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109468695
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109468806
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109468807
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 109469039
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109469257
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109469266
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109469316
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109469317

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine (CID 109469267) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine is CCN/C(=N\CC1(CC)CCC1)NCCCCC(F)(F)F.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is DGIWIEYZMUYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-3-14(8-7-9-14)12-21-13(19-4-2)20-11-6-5-10-15(16,17)18/h3-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 307.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 109469267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).