3-amino-2,2-dimethylpropanal;carbon dioxide

C6H11NO3 — CID 161067598

IUPAC3-amino-2,2-dimethylpropanal;carbon dioxide
SMILESCC(C)(C=O)CN.O=C=O
InChIInChI=1S/C5H11NO.CO2/c1-5(2,3-6)4-7;2-1-3/h4H,3,6H2,1-2H3;
InChIKeyUEFPMOIPADPFMN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.41
Rot. Bonds2

About 3-amino-2,2-dimethylpropanal;carbon dioxide

3-amino-2,2-dimethylpropanal;carbon dioxide (PubChem CID 161067598) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropanal;carbon dioxide.

Molecular Properties

Compound Name3-amino-2,2-dimethylpropanal;carbon dioxide
PubChem CID161067598
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-amino-2,2-dimethylpropanal;carbon dioxide
SMILESCC(C)(C=O)CN.O=C=O
InChIInChI=1S/C5H11NO.CO2/c1-5(2,3-6)4-7;2-1-3/h4H,3,6H2,1-2H3;
InChIKeyUEFPMOIPADPFMN-UHFFFAOYSA-N
XLogP-0.41
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,2-dimethylbutanal
CID 54099515
4-fluoro-2,2-dimethylbutanal
CID 130704248
2,2-dimethylpentanedial
CID 15009267
4-amino-3,3-dimethylbutanal
CID 18683027
ethanol;3-hydroxy-2,2-dimethylpropanal
CID 175112473
4-bromo-2,2,4-trimethylpentanal
CID 88947629
2,2-dimethylpropanal;methanamine
CID 54475082
2,2,4,4-tetramethyl-5-(methylamino)pentanal
CID 143414769
methanamine;molecular hydrogen;2,2,4-trimethylpentanal
CID 177024221
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
2,2-dimethylhept-6-ynal
CID 122240233
2,2,4,4,7,7,9,9-octamethyldec-5-enal
CID 123537893

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropanal;carbon dioxide?
The IUPAC name of 3-amino-2,2-dimethylpropanal;carbon dioxide (CID 161067598) is 3-amino-2,2-dimethylpropanal;carbon dioxide.
What is the SMILES notation for 3-amino-2,2-dimethylpropanal;carbon dioxide?
The canonical SMILES for 3-amino-2,2-dimethylpropanal;carbon dioxide is CC(C)(C=O)CN.O=C=O.
What is the InChIKey of 3-amino-2,2-dimethylpropanal;carbon dioxide?
The InChIKey is UEFPMOIPADPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CO2/c1-5(2,3-6)4-7;2-1-3/h4H,3,6H2,1-2H3;.
What are the key properties of 3-amino-2,2-dimethylpropanal;carbon dioxide?
3-amino-2,2-dimethylpropanal;carbon dioxide has a molecular weight of 145.16 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylpropanal;carbon dioxide is sourced from PubChem (CID 161067598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).