N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide

C11H21F3N2 — CID 168742261

IUPACN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide
SMILESCCC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C11H21F3N2/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyYSIDWSXDVFXNLJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.52
Rot. Bonds3

About N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide

N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide (PubChem CID 168742261) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide
PubChem CID168742261
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide
SMILESCCC/C(=N\C(C)C(F)(F)F)NC(C)(C)C
InChIInChI=1S/C11H21F3N2/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyYSIDWSXDVFXNLJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide?
The IUPAC name of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide (CID 168742261) is N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide is CCC/C(=N\C(C)C(F)(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide?
The InChIKey is YSIDWSXDVFXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14/h8H,6-7H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide?
N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide has a molecular weight of 238.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(1,1,1-trifluoropropan-2-yl)butanimidamide is sourced from PubChem (CID 168742261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).