3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide

C10H18F3N3O2 — CID 103370236

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(1-2-9)3-4-17/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeySTEVXSGYCVYWDJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.66
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide (PubChem CID 103370236) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide
PubChem CID103370236
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(1-2-9)3-4-17/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeySTEVXSGYCVYWDJ-UHFFFAOYSA-N
XLogP0.66
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutyl)amino]methyl]propanimidamide
CID 103369944
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentan-2-ylamino)methyl]propanimidamide
CID 103369999
2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103370077
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]propanimidamide
CID 105791655
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)methylamino]methyl]propanimidamide
CID 105895830
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanimidamide
CID 106115548
3,3,3-trifluoro-N'-hydroxy-2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]propanimidamide
CID 106148659
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 106177195
2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106256692
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanimidamide
CID 106350285
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxybutylamino)methyl]propanimidamide
CID 106842313

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide (CID 103370236) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide is NC(=NO)C(CNCC1(CCO)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide?
The InChIKey is STEVXSGYCVYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(1-2-9)3-4-17/h7,15,17-18H,1-6H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).