N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide

C12H16F3N3 — CID 61361101

IUPACN-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N3/c1-11(2,3)17-10(18-16)8-4-6-9(7-5-8)12(13,14)15/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyWTDBIYGYSONUOO-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.71
Rot. Bonds1

About N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide

N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 61361101) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID61361101
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC NameN-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N3/c1-11(2,3)17-10(18-16)8-4-6-9(7-5-8)12(13,14)15/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyWTDBIYGYSONUOO-UHFFFAOYSA-N
XLogP2.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide (CID 61361101) is N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide is CC(C)(C)/N=C(\NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is WTDBIYGYSONUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-11(2,3)17-10(18-16)8-4-6-9(7-5-8)12(13,14)15/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide?
N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 259.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 61361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).