3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide

C11H22F3N3O2 — CID 106011952

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide
SMILESCC(C)OCCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)19-6-4-3-5-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17)
InChIKeyOSPSZFBYZZGBFX-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.71
Rot. Bonds9

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

3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide (PubChem CID 106011952) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide
PubChem CID106011952
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide
SMILESCC(C)OCCCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)19-6-4-3-5-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17)
InChIKeyOSPSZFBYZZGBFX-UHFFFAOYSA-N
XLogP1.71
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
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-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369454
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]propanimidamide
CID 103369608
2-[(2-butoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369764
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxybutylamino)methyl]propanimidamide
CID 103369799
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369825
3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-methylbutoxy)ethylamino]methyl]propanimidamide
CID 103369853
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxybutylamino)methyl]propanimidamide
CID 103369898
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutyl)amino]methyl]propanimidamide
CID 103369944
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanimidamide
CID 103370015
3,3,3-trifluoro-N'-hydroxy-2-[(2-propan-2-yloxyethylamino)methyl]propanimidamide
CID 103370157
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-methoxyethoxy)butylamino]methyl]propanimidamide
CID 103370161

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide (CID 106011952) is 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide is CC(C)OCCCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide?
The InChIKey is OSPSZFBYZZGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-8(2)19-6-4-3-5-16-7-9(10(15)17-18)11(12,13)14/h8-9,16,18H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxybutylamino)methyl]propanimidamide is sourced from PubChem (CID 106011952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).