3-(dibutylamino)-2,2-dimethylpropanal

C13H27NO — CID 62278285

IUPAC3-(dibutylamino)-2,2-dimethylpropanal
SMILESCCCCN(CCCC)CC(C)(C)C=O
InChIInChI=1S/C13H27NO/c1-5-7-9-14(10-8-6-2)11-13(3,4)12-15/h12H,5-11H2,1-4H3
InChIKeyJJYCCTGEIDWIEH-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds9

About 3-(dibutylamino)-2,2-dimethylpropanal

3-(dibutylamino)-2,2-dimethylpropanal (PubChem CID 62278285) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(dibutylamino)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(dibutylamino)-2,2-dimethylpropanal
PubChem CID62278285
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(dibutylamino)-2,2-dimethylpropanal
SMILESCCCCN(CCCC)CC(C)(C)C=O
InChIInChI=1S/C13H27NO/c1-5-7-9-14(10-8-6-2)11-13(3,4)12-15/h12H,5-11H2,1-4H3
InChIKeyJJYCCTGEIDWIEH-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dibutylamino)-2,2-dimethylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-2,2-dimethylpropanal?
The IUPAC name of 3-(dibutylamino)-2,2-dimethylpropanal (CID 62278285) is 3-(dibutylamino)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(dibutylamino)-2,2-dimethylpropanal?
The canonical SMILES for 3-(dibutylamino)-2,2-dimethylpropanal is CCCCN(CCCC)CC(C)(C)C=O.
What is the InChIKey of 3-(dibutylamino)-2,2-dimethylpropanal?
The InChIKey is JJYCCTGEIDWIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-9-14(10-8-6-2)11-13(3,4)12-15/h12H,5-11H2,1-4H3.
What are the key properties of 3-(dibutylamino)-2,2-dimethylpropanal?
3-(dibutylamino)-2,2-dimethylpropanal has a molecular weight of 213.36 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-2,2-dimethylpropanal is sourced from PubChem (CID 62278285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).