2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide

C10H20F3N3O — CID 103370676

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)C(C)COC)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-16(7(2)6-17-3)5-8(9(14)15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H3,14,15)
InChIKeyUBOJJPZYLWUXHY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.46
Rot. Bonds7

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370676) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370676
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)C(C)COC)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-16(7(2)6-17-3)5-8(9(14)15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H3,14,15)
InChIKeyUBOJJPZYLWUXHY-UHFFFAOYSA-N
XLogP1.46
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.46
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 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370676) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC)C(C)COC)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is UBOJJPZYLWUXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-4-16(7(2)6-17-3)5-8(9(14)15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H3,14,15).
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 255.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).