2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C9H18F3N3O — CID 103370643

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-3-15(4-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyDTHQOTAYHSORTJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.07
Rot. Bonds7

About 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370643) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370643
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-3-15(4-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyDTHQOTAYHSORTJ-UHFFFAOYSA-N
XLogP1.07
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.07
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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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanimidamide
CID 54988220
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992046
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992500
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997066
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370643) is 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC)CCOC)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is DTHQOTAYHSORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-3-15(4-5-16-2)6-7(8(13)14)9(10,11)12/h7H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 241.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).