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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Related Compounds

2,2-dimethyl-N-(6-phosphanyl-2-pyridinyl)propanamide
CID 70898428
2,2-dimethyl-N-[6-(nitrosomethyl)-2-pyridinyl]propanamide
CID 90865597
N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
CID 102139348
N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 15541065
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 2767546
2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide
CID 102181081
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 68842438
(6-formyl-2-pyridinyl)carbamic acid
CID 87302689
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide
CID 87356862
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
N-[6-[(2-methoxyphenyl)-phenylphosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 102181078

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).