N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide

C12H21F3N4O2 — CID 120973865

IUPACN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19/h10H,1-9H2,(H2,16,17)
InChIKeyGWFSQRVNVHXALW-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.10
Rot. Bonds3

About N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide

N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide (PubChem CID 120973865) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
PubChem CID120973865
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC NameN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19/h10H,1-9H2,(H2,16,17)
InChIKeyGWFSQRVNVHXALW-UHFFFAOYSA-N
XLogP-0.10
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide (CID 120973865) is N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide is N/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The InChIKey is GWFSQRVNVHXALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19/h10H,1-9H2,(H2,16,17).
What are the key properties of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide has a molecular weight of 310.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 120973865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).