2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde

C7H15NO4 — CID 118439625

IUPAC2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
SMILESNCOCCOCCOCC=O
InChIInChI=1S/C7H15NO4/c8-7-12-6-5-11-4-3-10-2-1-9/h1H,2-8H2
InChIKeyZZEMYESWHIIELR-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.85
Rot. Bonds9

About 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde

2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde (PubChem CID 118439625) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
PubChem CID118439625
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
SMILESNCOCCOCCOCC=O
InChIInChI=1S/C7H15NO4/c8-7-12-6-5-11-4-3-10-2-1-9/h1H,2-8H2
InChIKeyZZEMYESWHIIELR-UHFFFAOYSA-N
XLogP-0.85
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
CID 163400108
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501
2-(2-oxoethoxy)ethyl hypobromite
CID 87256554
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
CID 90202042
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
CID 159473270
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde
CID 167072159
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde (CID 118439625) is 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde is NCOCCOCCOCC=O.
What is the InChIKey of 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde?
The InChIKey is ZZEMYESWHIIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c8-7-12-6-5-11-4-3-10-2-1-9/h1H,2-8H2.
What are the key properties of 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde?
2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde has a molecular weight of 177.20 g/mol, XLogP of -0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde is sourced from PubChem (CID 118439625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).