2-(methylamino)acetaldehyde;hydrochloride

C3H8ClNO — CID 13316133

IUPAC2-(methylamino)acetaldehyde;hydrochloride
SMILESCNCC=O.Cl
InChIInChI=1S/C3H7NO.ClH/c1-4-2-3-5;/h3-4H,2H2,1H3;1H
InChIKeyZVNYJZXNPGIWNP-UHFFFAOYSA-N
MW109.56 g/mol
LogP-0.17
Rot. Bonds2

About 2-(methylamino)acetaldehyde;hydrochloride

2-(methylamino)acetaldehyde;hydrochloride (PubChem CID 13316133) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is 2-(methylamino)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)acetaldehyde;hydrochloride
PubChem CID13316133
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name2-(methylamino)acetaldehyde;hydrochloride
SMILESCNCC=O.Cl
InChIInChI=1S/C3H7NO.ClH/c1-4-2-3-5;/h3-4H,2H2,1H3;1H
InChIKeyZVNYJZXNPGIWNP-UHFFFAOYSA-N
XLogP-0.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
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-(methylamino)acetaldehyde;hydrochloride?
The IUPAC name of 2-(methylamino)acetaldehyde;hydrochloride (CID 13316133) is 2-(methylamino)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(methylamino)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(methylamino)acetaldehyde;hydrochloride is CNCC=O.Cl.
What is the InChIKey of 2-(methylamino)acetaldehyde;hydrochloride?
The InChIKey is ZVNYJZXNPGIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-4-2-3-5;/h3-4H,2H2,1H3;1H.
What are the key properties of 2-(methylamino)acetaldehyde;hydrochloride?
2-(methylamino)acetaldehyde;hydrochloride has a molecular weight of 109.56 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetaldehyde;hydrochloride is sourced from PubChem (CID 13316133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).