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

C13H25F3N4 — CID 109474009

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCC(F)(F)F
InChIInChI=1S/C13H25F3N4/c1-4-17-12(18-8-7-13(14,15)16)19-9-10(2)20(3)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyWZKZBRAQPZODIJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.98
Rot. Bonds7

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

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109474009) has the molecular formula C13H25F3N4 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109474009
Molecular FormulaC13H25F3N4
Molecular Weight294.37 g/mol
Exact Mass294.20
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCC(F)(F)F
InChIInChI=1S/C13H25F3N4/c1-4-17-12(18-8-7-13(14,15)16)19-9-10(2)20(3)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyWZKZBRAQPZODIJ-UHFFFAOYSA-N
XLogP1.98
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109474009) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CC(C)N(C)C1CC1)NCCC(F)(F)F.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is WZKZBRAQPZODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4/c1-4-17-12(18-8-7-13(14,15)16)19-9-10(2)20(3)11-5-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 294.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109474009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).