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

C8H17NO2 — CID 62276213

IUPAC3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(CCO)CC(C)(C)C=O
InChIInChI=1S/C8H17NO2/c1-8(2,7-11)6-9(3)4-5-10/h7,10H,4-6H2,1-3H3
InChIKeyIVPQTTYUFQBJEJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds5

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

3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal (PubChem CID 62276213) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal
PubChem CID62276213
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(CCO)CC(C)(C)C=O
InChIInChI=1S/C8H17NO2/c1-8(2,7-11)6-9(3)4-5-10/h7,10H,4-6H2,1-3H3
InChIKeyIVPQTTYUFQBJEJ-UHFFFAOYSA-N
XLogP0.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-[Bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 44541421
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal (CID 62276213) is 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal is CN(CCO)CC(C)(C)C=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal?
The InChIKey is IVPQTTYUFQBJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,7-11)6-9(3)4-5-10/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal?
3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal has a molecular weight of 159.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).