acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium

C8H16NO2+ — CID 173152250

IUPACacetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium
SMILESCC(=O)[N+](C)(C)C(C)(C)C=O
InChIInChI=1S/C8H16NO2/c1-7(11)9(4,5)8(2,3)6-10/h6H,1-5H3/q+1
InChIKeyAICUCVRMQRIELZ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.59
Rot. Bonds2

About acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium

acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium (PubChem CID 173152250) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium.

Molecular Properties

Compound Nameacetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium
PubChem CID173152250
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Nameacetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium
SMILESCC(=O)[N+](C)(C)C(C)(C)C=O
InChIInChI=1S/C8H16NO2/c1-7(11)9(4,5)8(2,3)6-10/h6H,1-5H3/q+1
InChIKeyAICUCVRMQRIELZ-UHFFFAOYSA-N
XLogP0.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one
CID 161372336
N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
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2,2-difluoropropane;formic acid
CID 160803691
acetyl-[1,1-dihydroxy-2-methyl-5-oxo-5-(trimethylazaniumyl)pentan-2-yl]-dimethylazanium
CID 21299630
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal
CID 89230328
2,2,3,3-tetramethyl-5-oxohexanal
CID 12510598
alumane;2,2-dimethylpropanal
CID 173462477
2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
CID 87848931
ethanol;3-hydroxy-2,2-dimethylpropanal
CID 175112473
acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
2,2-dimethyl-5-oxoheptanal
CID 10419414
5-hydroxy-2,2,4-trimethylpentanal
CID 91088548

Frequently Asked Questions

What is the IUPAC name of acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium?
The IUPAC name of acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium (CID 173152250) is acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium.
What is the SMILES notation for acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium?
The canonical SMILES for acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium is CC(=O)[N+](C)(C)C(C)(C)C=O.
What is the InChIKey of acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium?
The InChIKey is AICUCVRMQRIELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-7(11)9(4,5)8(2,3)6-10/h6H,1-5H3/q+1.
What are the key properties of acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium?
acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium has a molecular weight of 158.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-dimethyl-(2-methyl-1-oxopropan-2-yl)azanium is sourced from PubChem (CID 173152250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).