N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide

C15H23N3O2 — CID 59013576

IUPACN-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide
SMILESCC(C)(C)C(=O)Nc1cccc(/C=[N+](\[O-])C(C)(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)13(19)17-12-9-7-8-11(16-12)10-18(20)15(4,5)6/h7-10H,1-6H3,(H,16,17,19)/b18-10-
InChIKeyHGTWCAXVEUMUAG-ZDLGFXPLSA-N
MW277.37 g/mol
LogP2.79
Rot. Bonds2

About N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide

N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide (PubChem CID 59013576) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide
PubChem CID59013576
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide
SMILESCC(C)(C)C(=O)Nc1cccc(/C=[N+](\[O-])C(C)(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)13(19)17-12-9-7-8-11(16-12)10-18(20)15(4,5)6/h7-10H,1-6H3,(H,16,17,19)/b18-10-
InChIKeyHGTWCAXVEUMUAG-ZDLGFXPLSA-N
XLogP2.79
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide?
The IUPAC name of N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide (CID 59013576) is N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide?
The canonical SMILES for N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide is CC(C)(C)C(=O)Nc1cccc(/C=[N+](\[O-])C(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide?
The InChIKey is HGTWCAXVEUMUAG-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)13(19)17-12-9-7-8-11(16-12)10-18(20)15(4,5)6/h7-10H,1-6H3,(H,16,17,19)/b18-10-.
What are the key properties of N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide?
N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide has a molecular weight of 277.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide is sourced from PubChem (CID 59013576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).