2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide

C10H18F3N3O — CID 103370593

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1CC)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-7-6-17-4-3-16(7)5-8(9(14)15)10(11,12)13/h7-8H,2-6H2,1H3,(H3,14,15)
InChIKeyKREHLEBTQLMFES-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.21
Rot. Bonds4

About 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide

2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370593) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370593
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1CC)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-7-6-17-4-3-16(7)5-8(9(14)15)10(11,12)13/h7-8H,2-6H2,1H3,(H3,14,15)
InChIKeyKREHLEBTQLMFES-UHFFFAOYSA-N
XLogP1.21
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.21
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]-2-methylpropanimidamide
CID 54988219
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61576310
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 64444265
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[Propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803674
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide (CID 103370593) is 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1CCOCC1CC)C(F)(F)F.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is KREHLEBTQLMFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-7-6-17-4-3-16(7)5-8(9(14)15)10(11,12)13/h7-8H,2-6H2,1H3,(H3,14,15).
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide?
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).