3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide

C9H18F3N3O2 — CID 103369411

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
SMILESCOCCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(4-3-5-17-2)6-7(8(13)14-16)9(10,11)12/h7,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyDODXBEBQQYFNCS-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.88
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide (PubChem CID 103369411) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
PubChem CID103369411
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
SMILESCOCCCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(4-3-5-17-2)6-7(8(13)14-16)9(10,11)12/h7,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyDODXBEBQQYFNCS-UHFFFAOYSA-N
XLogP0.88
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.88
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanimidamide
CID 54988220
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992046
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 54992505
3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 54997630
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54997958
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide (CID 103369411) is 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide is COCCCN(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
The InChIKey is DODXBEBQQYFNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-15(4-3-5-17-2)6-7(8(13)14-16)9(10,11)12/h7,16H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide has a molecular weight of 257.26 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).