2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde

C6H13NO4 — CID 175378786

IUPAC2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
SMILESNC(C=O)OCCOCCO
InChIInChI=1S/C6H13NO4/c7-6(5-9)11-4-3-10-2-1-8/h5-6,8H,1-4,7H2
InChIKeyZLWOSSJDBKIVIP-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.50
Rot. Bonds7

About 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde

2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde (PubChem CID 175378786) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
PubChem CID175378786
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
SMILESNC(C=O)OCCOCCO
InChIInChI=1S/C6H13NO4/c7-6(5-9)11-4-3-10-2-1-8/h5-6,8H,1-4,7H2
InChIKeyZLWOSSJDBKIVIP-UHFFFAOYSA-N
XLogP-1.50
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
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-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
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-hydroxyethoxy)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]ethanol
CID 14619703
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-(2-hydroxyethoxy)ethoxycarbonyl formate
CID 57170393
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 177324928
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde (CID 175378786) is 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde is NC(C=O)OCCOCCO.
What is the InChIKey of 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde?
The InChIKey is ZLWOSSJDBKIVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c7-6(5-9)11-4-3-10-2-1-8/h5-6,8H,1-4,7H2.
What are the key properties of 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde?
2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde has a molecular weight of 163.17 g/mol, XLogP of -1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 175378786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).