3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal

C13H24N2O2 — CID 175981178

IUPAC3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCN(CC(C)(C)C=O)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,9-16)7-14-5-6-15(11-14)8-13(3,4)10-17/h9-10H,5-8,11H2,1-4H3
InChIKeyVWSNAYFZYBEGAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds6

About 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal

3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal (PubChem CID 175981178) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal
PubChem CID175981178
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCN(CC(C)(C)C=O)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,9-16)7-14-5-6-15(11-14)8-13(3,4)10-17/h9-10H,5-8,11H2,1-4H3
InChIKeyVWSNAYFZYBEGAB-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal (CID 175981178) is 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal is CC(C)(C=O)CN1CCN(CC(C)(C)C=O)C1.
What is the InChIKey of 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal?
The InChIKey is VWSNAYFZYBEGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,9-16)7-14-5-6-15(11-14)8-13(3,4)10-17/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal?
3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal has a molecular weight of 240.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 175981178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).