2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one

C12H24N2O2 — CID 59446093

IUPAC2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one
SMILESCON=CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)10(15)9(8-13-16-7)14-12(4,5)6/h8-9,14H,1-7H3
InChIKeyAMNYRTOJVCJZRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.99
Rot. Bonds4

About 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one

2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one (PubChem CID 59446093) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one
PubChem CID59446093
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one
SMILESCON=CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)10(15)9(8-13-16-7)14-12(4,5)6/h8-9,14H,1-7H3
InChIKeyAMNYRTOJVCJZRF-UHFFFAOYSA-N
XLogP1.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.99
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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Related Compounds

N-[(Z)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 166778270
N-[(E)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 146312727
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
(2R)-1-[(2S)-2-(tert-butylamino)propoxy]-2-fluoro-4,4-dimethylpentan-3-one
CID 171587537
(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one
CID 176781689
(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
CID 159070752
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
(3S,4E)-4-methoxyimino-3-(methylamino)butanoic acid
CID 59947816
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
methyl N-[(2S,3R)-2-hydroxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59450089
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one (CID 59446093) is 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one is CON=CC(NC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one?
The InChIKey is AMNYRTOJVCJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)10(15)9(8-13-16-7)14-12(4,5)6/h8-9,14H,1-7H3.
What are the key properties of 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one?
2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one has a molecular weight of 228.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-methoxyimino-4,4-dimethylpentan-3-one is sourced from PubChem (CID 59446093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).