2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde

C9H20FmNO3- — CID 168994657

IUPAC2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde
SMILESCC(C)(C)C.CO.O=[C-]NCC=O.[Fm]
InChIInChI=1S/C5H12.C3H4NO2.CH4O.Fm/c1-5(2,3)4;5-2-1-4-3-6;1-2;/h1-4H3;2H,1H2,(H,4,6);2H,1H3;/q;-1;;
InChIKeyUNKHUVFQXJXTBI-UHFFFAOYSA-N
MW447.26 g/mol
LogP0.50
Rot. Bonds3

About 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde

2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde (PubChem CID 168994657) has the molecular formula C9H20FmNO3- and a molecular weight of 447.26 g/mol. Its IUPAC name is 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde.

Molecular Properties

Compound Name2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde
PubChem CID168994657
Molecular FormulaC9H20FmNO3-
Molecular Weight447.26 g/mol
Exact Mass447.24
IUPAC Name2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde
SMILESCC(C)(C)C.CO.O=[C-]NCC=O.[Fm]
InChIInChI=1S/C5H12.C3H4NO2.CH4O.Fm/c1-5(2,3)4;5-2-1-4-3-6;1-2;/h1-4H3;2H,1H2,(H,4,6);2H,1H3;/q;-1;;
InChIKeyUNKHUVFQXJXTBI-UHFFFAOYSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)
CID 160620303
fermium;methanol;2-methyl-N-(2-oxoethoxymethyl)-2-(oxomethylamino)propanamide
CID 171825179
tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid
CID 166169500
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(oxomethylamino)acetamide;fermium;formic acid
CID 176672168
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
carbanide;ethylaminomethanone;tungsten(2+)
CID 21334677
2-deuterio-3,3-dimethylbutanal
CID 175833370
2-[(2-oxoethylamino)methylamino]acetaldehyde
CID 54207302
3,3-dimethyl-2-[1-(2-oxoethylamino)ethenylamino]butanal
CID 143352660
1,1,1-trifluoro-N-(2-oxoethyl)methanesulfonamide
CID 56982959
2-methylhexan-2-yl N-(2-oxoethyl)carbamate
CID 138646437
methanol;2-[2-(2-methoxyethoxy)ethylamino]acetaldehyde
CID 143805512

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde?
The IUPAC name of 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde (CID 168994657) is 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde.
What is the SMILES notation for 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde?
The canonical SMILES for 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde is CC(C)(C)C.CO.O=[C-]NCC=O.[Fm].
What is the InChIKey of 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde?
The InChIKey is UNKHUVFQXJXTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H4NO2.CH4O.Fm/c1-5(2,3)4;5-2-1-4-3-6;1-2;/h1-4H3;2H,1H2,(H,4,6);2H,1H3;/q;-1;;.
What are the key properties of 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde?
2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde has a molecular weight of 447.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde is sourced from PubChem (CID 168994657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).