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

C11H23NO3 — CID 87356990

IUPAC3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
SMILESCC(O)CN(CC(C)O)CC(C)(C)C=O
InChIInChI=1S/C11H23NO3/c1-9(14)5-12(6-10(2)15)7-11(3,4)8-13/h8-10,14-15H,5-7H2,1-4H3
InChIKeyUHZPWZRJVOHOEE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.28
Rot. Bonds7

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

3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal (PubChem CID 87356990) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
PubChem CID87356990
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
SMILESCC(O)CN(CC(C)O)CC(C)(C)C=O
InChIInChI=1S/C11H23NO3/c1-9(14)5-12(6-10(2)15)7-11(3,4)8-13/h8-10,14-15H,5-7H2,1-4H3
InChIKeyUHZPWZRJVOHOEE-UHFFFAOYSA-N
XLogP0.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
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-hydroxypropyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal (CID 87356990) is 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal is CC(O)CN(CC(C)O)CC(C)(C)C=O.
What is the InChIKey of 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
The InChIKey is UHZPWZRJVOHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(14)5-12(6-10(2)15)7-11(3,4)8-13/h8-10,14-15H,5-7H2,1-4H3.
What are the key properties of 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal has a molecular weight of 217.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 87356990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).