3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal

C9H19NO3 — CID 126611622

IUPAC3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
SMILESCCOCC(O)CNCC(C)C=O
InChIInChI=1S/C9H19NO3/c1-3-13-7-9(12)5-10-4-8(2)6-11/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyDIZXKZDJTZOZRW-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.19
Rot. Bonds8

About 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal

3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal (PubChem CID 126611622) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal.

Molecular Properties

Compound Name3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
PubChem CID126611622
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
SMILESCCOCC(O)CNCC(C)C=O
InChIInChI=1S/C9H19NO3/c1-3-13-7-9(12)5-10-4-8(2)6-11/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyDIZXKZDJTZOZRW-UHFFFAOYSA-N
XLogP-0.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.19
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

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal?
The IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal (CID 126611622) is 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal.
What is the SMILES notation for 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal?
The canonical SMILES for 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal is CCOCC(O)CNCC(C)C=O.
What is the InChIKey of 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal?
The InChIKey is DIZXKZDJTZOZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-13-7-9(12)5-10-4-8(2)6-11/h6,8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal?
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal has a molecular weight of 189.25 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal is sourced from PubChem (CID 126611622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).