N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

C11H22F3N3O2 — CID 54997958

IUPACN'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILESCC(C)N(CCCOCC(F)(F)F)CC/C(N)=N/O
InChIInChI=1S/C11H22F3N3O2/c1-9(2)17(6-4-10(15)16-18)5-3-7-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyFQCPOAHIEIJWFG-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.80
Rot. Bonds9

About N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (PubChem CID 54997958) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
PubChem CID54997958
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC NameN'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILESCC(C)N(CCCOCC(F)(F)F)CC/C(N)=N/O
InChIInChI=1S/C11H22F3N3O2/c1-9(2)17(6-4-10(15)16-18)5-3-7-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyFQCPOAHIEIJWFG-UHFFFAOYSA-N
XLogP1.80
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (CID 54997958) is N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is CC(C)N(CCCOCC(F)(F)F)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The InChIKey is FQCPOAHIEIJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-9(2)17(6-4-10(15)16-18)5-3-7-19-8-11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is sourced from PubChem (CID 54997958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).