2-(dimethylamino)acetaldehyde

C4H9NO — CID 123421561

IUPAC2-(dimethylamino)acetaldehyde
SMILESC[15N](C)C[13CH]=[18O]
InChIInChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3/i4+1,5+1,6+2
InChIKeyGRWPTSXPZYCYOM-LWMLLLFASA-N
MW91.11 g/mol
LogP-0.25
Rot. Bonds2

About 2-(dimethylamino)acetaldehyde

2-(dimethylamino)acetaldehyde (PubChem CID 123421561) has the molecular formula C4H9NO and a molecular weight of 91.11 g/mol. Its IUPAC name is 2-(dimethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)acetaldehyde
PubChem CID123421561
Molecular FormulaC4H9NO
Molecular Weight91.11 g/mol
Exact Mass91.07
IUPAC Name2-(dimethylamino)acetaldehyde
SMILESC[15N](C)C[13CH]=[18O]
InChIInChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3/i4+1,5+1,6+2
InChIKeyGRWPTSXPZYCYOM-LWMLLLFASA-N
XLogP-0.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)acetaldehyde?
The IUPAC name of 2-(dimethylamino)acetaldehyde (CID 123421561) is 2-(dimethylamino)acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)acetaldehyde?
The canonical SMILES for 2-(dimethylamino)acetaldehyde is C[15N](C)C[13CH]=[18O].
What is the InChIKey of 2-(dimethylamino)acetaldehyde?
The InChIKey is GRWPTSXPZYCYOM-LWMLLLFASA-N. The full InChI is InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3/i4+1,5+1,6+2.
What are the key properties of 2-(dimethylamino)acetaldehyde?
2-(dimethylamino)acetaldehyde has a molecular weight of 91.11 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)acetaldehyde is sourced from PubChem (CID 123421561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).