2-chloroacetaldehyde;N,N-dimethylmethanamine

C5H12ClNO — CID 174354927

IUPAC2-chloroacetaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CCCl
InChIInChI=1S/C3H9N.C2H3ClO/c1-4(2)3;3-1-2-4/h1-3H3;2H,1H2
InChIKeyFFBQVHPSCGLFCO-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.60
Rot. Bonds1

About 2-chloroacetaldehyde;N,N-dimethylmethanamine

2-chloroacetaldehyde;N,N-dimethylmethanamine (PubChem CID 174354927) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 2-chloroacetaldehyde;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-chloroacetaldehyde;N,N-dimethylmethanamine
PubChem CID174354927
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name2-chloroacetaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CCCl
InChIInChI=1S/C3H9N.C2H3ClO/c1-4(2)3;3-1-2-4/h1-3H3;2H,1H2
InChIKeyFFBQVHPSCGLFCO-UHFFFAOYSA-N
XLogP0.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;N,N-dimethylmethanamine?
The IUPAC name of 2-chloroacetaldehyde;N,N-dimethylmethanamine (CID 174354927) is 2-chloroacetaldehyde;N,N-dimethylmethanamine.
What is the SMILES notation for 2-chloroacetaldehyde;N,N-dimethylmethanamine?
The canonical SMILES for 2-chloroacetaldehyde;N,N-dimethylmethanamine is CN(C)C.O=CCCl.
What is the InChIKey of 2-chloroacetaldehyde;N,N-dimethylmethanamine?
The InChIKey is FFBQVHPSCGLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H3ClO/c1-4(2)3;3-1-2-4/h1-3H3;2H,1H2.
What are the key properties of 2-chloroacetaldehyde;N,N-dimethylmethanamine?
2-chloroacetaldehyde;N,N-dimethylmethanamine has a molecular weight of 137.61 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetaldehyde;N,N-dimethylmethanamine is sourced from PubChem (CID 174354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).