N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide

C14H20F3N3O — CID 77062247

IUPACN'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
SMILESCC(C)(CCNCc1ccc(C(F)(F)F)cc1)C(N)=NO
InChIInChI=1S/C14H20F3N3O/c1-13(2,12(18)20-21)7-8-19-9-10-3-5-11(6-4-10)14(15,16)17/h3-6,19,21H,7-9H2,1-2H3,(H2,18,20)
InChIKeyKWXPQNLVNVZIOQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.96
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide (PubChem CID 77062247) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
PubChem CID77062247
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
SMILESCC(C)(CCNCc1ccc(C(F)(F)F)cc1)C(N)=NO
InChIInChI=1S/C14H20F3N3O/c1-13(2,12(18)20-21)7-8-19-9-10-3-5-11(6-4-10)14(15,16)17/h3-6,19,21H,7-9H2,1-2H3,(H2,18,20)
InChIKeyKWXPQNLVNVZIOQ-UHFFFAOYSA-N
XLogP2.96
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N'-hydroxy-2,2-dimethyl-4-(4-methylsulfanylanilino)butanimidamide
CID 77061906
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide (CID 77062247) is N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide is CC(C)(CCNCc1ccc(C(F)(F)F)cc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide?
The InChIKey is KWXPQNLVNVZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-13(2,12(18)20-21)7-8-19-9-10-3-5-11(6-4-10)14(15,16)17/h3-6,19,21H,7-9H2,1-2H3,(H2,18,20).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide has a molecular weight of 303.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide is sourced from PubChem (CID 77062247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).