3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

C11H22F3N3O2 — CID 63286299

IUPAC3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCOCC(F)(F)F)CCOC
InChIInChI=1S/C11H22F3N3O2/c1-18-8-6-17(5-3-10(15)16)4-2-7-19-9-11(12,13)14/h2-9H2,1H3,(H3,15,16)
InChIKeyPJDLSOLRRZIJSG-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.23
Rot. Bonds11

About 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (PubChem CID 63286299) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
PubChem CID63286299
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCOCC(F)(F)F)CCOC
InChIInChI=1S/C11H22F3N3O2/c1-18-8-6-17(5-3-10(15)16)4-2-7-19-9-11(12,13)14/h2-9H2,1H3,(H3,15,16)
InChIKeyPJDLSOLRRZIJSG-UHFFFAOYSA-N
XLogP1.23
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (CID 63286299) is 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is [H]/N=C(\N)CCN(CCCOCC(F)(F)F)CCOC.
What is the InChIKey of 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The InChIKey is PJDLSOLRRZIJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-18-8-6-17(5-3-10(15)16)4-2-7-19-9-11(12,13)14/h2-9H2,1H3,(H3,15,16).
What are the key properties of 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is sourced from PubChem (CID 63286299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).