2-(2-methoxyethylamino)acetaldehyde

C5H11NO2 — CID 54243184

IUPAC2-(2-methoxyethylamino)acetaldehyde
SMILESCOCCNCC=O
InChIInChI=1S/C5H11NO2/c1-8-5-3-6-2-4-7/h4,6H,2-3,5H2,1H3
InChIKeyBUCKWVMSOGBPQB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.58
Rot. Bonds5

About 2-(2-methoxyethylamino)acetaldehyde

2-(2-methoxyethylamino)acetaldehyde (PubChem CID 54243184) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethylamino)acetaldehyde
PubChem CID54243184
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(2-methoxyethylamino)acetaldehyde
SMILESCOCCNCC=O
InChIInChI=1S/C5H11NO2/c1-8-5-3-6-2-4-7/h4,6H,2-3,5H2,1H3
InChIKeyBUCKWVMSOGBPQB-UHFFFAOYSA-N
XLogP-0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;2-[2-(2-methoxyethoxy)ethylamino]acetaldehyde
CID 143805512
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-[2-(2-oxoethylamino)ethoxy]ethyl]formamide
CID 156882800
N-(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 115278166
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
CID 59347744
CID 59347744
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
CID 177329395
CID 177329395
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
N-(2-chloroethyl)-2-methoxyethanamine
CID 64980906
CID 89324812
CID 89324812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)acetaldehyde?
The IUPAC name of 2-(2-methoxyethylamino)acetaldehyde (CID 54243184) is 2-(2-methoxyethylamino)acetaldehyde.
What is the SMILES notation for 2-(2-methoxyethylamino)acetaldehyde?
The canonical SMILES for 2-(2-methoxyethylamino)acetaldehyde is COCCNCC=O.
What is the InChIKey of 2-(2-methoxyethylamino)acetaldehyde?
The InChIKey is BUCKWVMSOGBPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-8-5-3-6-2-4-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)acetaldehyde?
2-(2-methoxyethylamino)acetaldehyde has a molecular weight of 117.15 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)acetaldehyde is sourced from PubChem (CID 54243184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).