1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine

C11H23F3N4 — CID 109474843

IUPAC1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCN(C)CC
InChIInChI=1S/C11H23F3N4/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2/h4-9H2,1-3H3,(H2,15,16,17)
InChIKeyIPWVXVSYZFNZOB-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.45
Rot. Bonds7

About 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine

1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109474843) has the molecular formula C11H23F3N4 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID109474843
Molecular FormulaC11H23F3N4
Molecular Weight268.33 g/mol
Exact Mass268.19
IUPAC Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCN(C)CC
InChIInChI=1S/C11H23F3N4/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2/h4-9H2,1-3H3,(H2,15,16,17)
InChIKeyIPWVXVSYZFNZOB-UHFFFAOYSA-N
XLogP1.45
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.45
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

N-(2-fluoroethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 117682042
1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 126487885
1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 138502581
N-(2-fluoroethyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 146245866
1-Cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
CID 155782437
[[2-[Bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
CID 123835509
Tetramethylguanidino-tris(2-aminoethyl)amine
CID 129851468
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
CID 75532965
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
CID 75532966
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376205
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 109376304
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 109376305

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine (CID 109474843) is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NCCN(C)CC.
What is the InChIKey of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is IPWVXVSYZFNZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2/h4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 268.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109474843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).