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

C10H21F3N4O2 — CID 103369697

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide
SMILESCOCCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O2/c1-17(5-6-19-2)4-3-15-7-8(9(14)16-18)10(11,12)13/h8,15,18H,3-7H2,1-2H3,(H2,14,16)
InChIKeySRWDRDINGGSWAE-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.08
Rot. Bonds9

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

3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide (PubChem CID 103369697) has the molecular formula C10H21F3N4O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide
PubChem CID103369697
Molecular FormulaC10H21F3N4O2
Molecular Weight286.30 g/mol
Exact Mass286.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide
SMILESCOCCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O2/c1-17(5-6-19-2)4-3-15-7-8(9(14)16-18)10(11,12)13/h8,15,18H,3-7H2,1-2H3,(H2,14,16)
InChIKeySRWDRDINGGSWAE-UHFFFAOYSA-N
XLogP0.08
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.08
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'}

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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'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
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
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 76927657
3-[2,2-difluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76993822

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide (CID 103369697) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide is COCCN(C)CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide?
The InChIKey is SRWDRDINGGSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O2/c1-17(5-6-19-2)4-3-15-7-8(9(14)16-18)10(11,12)13/h8,15,18H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide has a molecular weight of 286.30 g/mol, XLogP of 0.08, 9 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-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide is sourced from PubChem (CID 103369697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).