3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal

C11H23NO3 — CID 62276074

IUPAC3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal
SMILESCOCCN(CCOC)CC(C)(C)C=O
InChIInChI=1S/C11H23NO3/c1-11(2,10-13)9-12(5-7-14-3)6-8-15-4/h10H,5-9H2,1-4H3
InChIKeyZTXGZKKIKVLDNG-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.81
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal

3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal (PubChem CID 62276074) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal
PubChem CID62276074
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal
SMILESCOCCN(CCOC)CC(C)(C)C=O
InChIInChI=1S/C11H23NO3/c1-11(2,10-13)9-12(5-7-14-3)6-8-15-4/h10H,5-9H2,1-4H3
InChIKeyZTXGZKKIKVLDNG-UHFFFAOYSA-N
XLogP0.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.81
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-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal (CID 62276074) is 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal is COCCN(CCOC)CC(C)(C)C=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal?
The InChIKey is ZTXGZKKIKVLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,10-13)9-12(5-7-14-3)6-8-15-4/h10H,5-9H2,1-4H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal?
3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal has a molecular weight of 217.31 g/mol, XLogP of 0.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).