3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal

C10H19NO2 — CID 15055098

IUPAC3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CNCC(C)(C)C=O
InChIInChI=1S/C10H19NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h7-8,11H,5-6H2,1-4H3
InChIKeyZTDUPJLRCXKOEY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.03
Rot. Bonds6

About 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal

3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal (PubChem CID 15055098) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal
PubChem CID15055098
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CNCC(C)(C)C=O
InChIInChI=1S/C10H19NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h7-8,11H,5-6H2,1-4H3
InChIKeyZTDUPJLRCXKOEY-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal (CID 15055098) is 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CNCC(C)(C)C=O.
What is the InChIKey of 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal?
The InChIKey is ZTDUPJLRCXKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal?
3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal has a molecular weight of 185.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3-oxopropyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 15055098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).