3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine

C11H17N3O — CID 176664499

IUPAC3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine
SMILESCO/N=C/[C@@H](c1cccnc1N)C(C)C
InChIInChI=1S/C11H17N3O/c1-8(2)10(7-14-15-3)9-5-4-6-13-11(9)12/h4-8,10H,1-3H3,(H2,12,13)/b14-7+/t10-/m1/s1
InChIKeyPYQBFLPHYIFECN-FBWGLTFQSA-N
MW207.28 g/mol
LogP2.04
Rot. Bonds4

About 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine

3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine (PubChem CID 176664499) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine
PubChem CID176664499
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine
SMILESCO/N=C/[C@@H](c1cccnc1N)C(C)C
InChIInChI=1S/C11H17N3O/c1-8(2)10(7-14-15-3)9-5-4-6-13-11(9)12/h4-8,10H,1-3H3,(H2,12,13)/b14-7+/t10-/m1/s1
InChIKeyPYQBFLPHYIFECN-FBWGLTFQSA-N
XLogP2.04
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine?
The IUPAC name of 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine (CID 176664499) is 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine is CO/N=C/[C@@H](c1cccnc1N)C(C)C.
What is the InChIKey of 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine?
The InChIKey is PYQBFLPHYIFECN-FBWGLTFQSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)10(7-14-15-3)9-5-4-6-13-11(9)12/h4-8,10H,1-3H3,(H2,12,13)/b14-7+/t10-/m1/s1.
What are the key properties of 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine?
3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine is sourced from PubChem (CID 176664499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).