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

C9H19NO3 — CID 44541421

IUPAC3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CCO
InChIInChI=1S/C9H19NO3/c1-9(2,8-13)7-10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3
InChIKeyQZOJVEVBWWZFJV-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds7

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

3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal (PubChem CID 44541421) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
PubChem CID44541421
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CCO
InChIInChI=1S/C9H19NO3/c1-9(2,8-13)7-10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3
InChIKeyQZOJVEVBWWZFJV-UHFFFAOYSA-N
XLogP-0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethylaminopivalaldehyde
CID 80653
3-(Dipropylamino)-2,2-dimethylpropanal
CID 230583
2,2'-[(Methylazanediyl)bis(methylene)]bis(2-methylpropanal)
CID 301086
3-[Bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
CID 87356990
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 107486404
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 107486445
2-[2,2-Dimethylpropyl(2-hydroxyethyl)amino]ethanol
CID 18533828
4-[2,2-Dimethylpropyl(2-hydroxyethyl)amino]butan-2-one
CID 58066216
2,2-Dimethyl-3-[methyl(propyl)amino]propanal
CID 62275626
3-[Ethyl(propyl)amino]-2,2-dimethylpropanal
CID 62276000
3-[Ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 62276024
2,2-Dimethyl-3-bis(2-methoxyethyl)amino-propanal
CID 62276074

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal (CID 44541421) is 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The InChIKey is QZOJVEVBWWZFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,8-13)7-10(3-5-11)4-6-12/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal has a molecular weight of 189.25 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 44541421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).