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

C11H23F3N4O — CID 109473509

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCN(C)CCOC)NCCC(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-15-10(16-5-4-11(12,13)14)17-6-7-18(2)8-9-19-3/h4-9H2,1-3H3,(H2,15,16,17)
InChIKeyCGSOWBCIHIIGTA-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.68
Rot. Bonds8

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

1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473509) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473509
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCN(C)CCOC)NCCC(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-15-10(16-5-4-11(12,13)14)17-6-7-18(2)8-9-19-3/h4-9H2,1-3H3,(H2,15,16,17)
InChIKeyCGSOWBCIHIIGTA-UHFFFAOYSA-N
XLogP0.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109473509) is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCN(C)CCOC)NCCC(F)(F)F.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is CGSOWBCIHIIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-15-10(16-5-4-11(12,13)14)17-6-7-18(2)8-9-19-3/h4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 284.33 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).