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

C10H21F3N4O — CID 103369689

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide
SMILESCC(C)N(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-7(2)17(3)5-4-15-6-8(9(14)16-18)10(11,12)13/h7-8,15,18H,4-6H2,1-3H3,(H2,14,16)
InChIKeyNGJSLFBPINYPLY-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.84
Rot. Bonds7

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

3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide (PubChem CID 103369689) has the molecular formula C10H21F3N4O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide
PubChem CID103369689
Molecular FormulaC10H21F3N4O
Molecular Weight270.30 g/mol
Exact Mass270.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide
SMILESCC(C)N(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-7(2)17(3)5-4-15-6-8(9(14)16-18)10(11,12)13/h7-8,15,18H,4-6H2,1-3H3,(H2,14,16)
InChIKeyNGJSLFBPINYPLY-UHFFFAOYSA-N
XLogP0.84
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide (CID 103369689) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide is CC(C)N(C)CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide?
The InChIKey is NGJSLFBPINYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O/c1-7(2)17(3)5-4-15-6-8(9(14)16-18)10(11,12)13/h7-8,15,18H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide has a molecular weight of 270.30 g/mol, XLogP of 0.84, 7 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-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]propanimidamide is sourced from PubChem (CID 103369689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).