2,2-dimethylpropanal;methanamine

C6H15NO — CID 54475082

IUPAC2,2-dimethylpropanal;methanamine
SMILESCC(C)(C)C=O.CN
InChIInChI=1S/C5H10O.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3
InChIKeyXKZJKHLPQPDSND-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.81
Rot. Bonds

About 2,2-dimethylpropanal;methanamine

2,2-dimethylpropanal;methanamine (PubChem CID 54475082) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2,2-dimethylpropanal;methanamine.

Molecular Properties

Compound Name2,2-dimethylpropanal;methanamine
PubChem CID54475082
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2,2-dimethylpropanal;methanamine
SMILESCC(C)(C)C=O.CN
InChIInChI=1S/C5H10O.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3
InChIKeyXKZJKHLPQPDSND-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methanamine;2-methylpropanal
CID 23509049
3-Amino-2,2-dimethylpropanal
CID 54484569
Methanamine;propanedial
CID 87642472
Butanal;methanamine
CID 87643359
Formamide;2-methylpropanal
CID 88766123
Acetaldehyde;methanamine;propane
CID 90903867
Azane;2,2-dimethylpropanal
CID 129115843
Methanamine;propanal
CID 143363560
Butanal;ethane;methanamine
CID 144046836
Ethane;methanamine;propanal
CID 144255491
Methanamine;3-methylbutanal
CID 144530432
Methanamine;2-methylbutanal
CID 144598169

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanal;methanamine?
The IUPAC name of 2,2-dimethylpropanal;methanamine (CID 54475082) is 2,2-dimethylpropanal;methanamine.
What is the SMILES notation for 2,2-dimethylpropanal;methanamine?
The canonical SMILES for 2,2-dimethylpropanal;methanamine is CC(C)(C)C=O.CN.
What is the InChIKey of 2,2-dimethylpropanal;methanamine?
The InChIKey is XKZJKHLPQPDSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3.
What are the key properties of 2,2-dimethylpropanal;methanamine?
2,2-dimethylpropanal;methanamine has a molecular weight of 117.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;methanamine is sourced from PubChem (CID 54475082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).