N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide

C10H20F3N3O2 — CID 76987663

IUPACN'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-8(6-9(14)15-17)16(2)4-3-5-18-7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyVUSOKEWMCMHGLM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds8

About N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide

N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide (PubChem CID 76987663) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide
PubChem CID76987663
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC NameN'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-8(6-9(14)15-17)16(2)4-3-5-18-7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyVUSOKEWMCMHGLM-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.41
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-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide (CID 76987663) is N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide is CC(CC(N)=NO)N(C)CCCOCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide?
The InChIKey is VUSOKEWMCMHGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-8(6-9(14)15-17)16(2)4-3-5-18-7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide?
N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanimidamide is sourced from PubChem (CID 76987663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).