3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide

C11H21F3N4O2 — CID 103369612

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N4O2/c12-11(13,14)9(10(15)17-19)8-16-2-1-3-18-4-6-20-7-5-18/h9,16,19H,1-8H2,(H2,15,17)
InChIKeySMWSDAJZLOZQHU-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.22
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide (PubChem CID 103369612) has the molecular formula C11H21F3N4O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide
PubChem CID103369612
Molecular FormulaC11H21F3N4O2
Molecular Weight298.31 g/mol
Exact Mass298.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N4O2/c12-11(13,14)9(10(15)17-19)8-16-2-1-3-18-4-6-20-7-5-18/h9,16,19H,1-8H2,(H2,15,17)
InChIKeySMWSDAJZLOZQHU-UHFFFAOYSA-N
XLogP0.22
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77039063
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 77041682
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 77100320

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide (CID 103369612) is 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide is NC(=NO)C(CNCCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide?
The InChIKey is SMWSDAJZLOZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O2/c12-11(13,14)9(10(15)17-19)8-16-2-1-3-18-4-6-20-7-5-18/h9,16,19H,1-8H2,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide has a molecular weight of 298.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide is sourced from PubChem (CID 103369612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).