2-(2-hydroxyethoxy)ethyl-methanidylazanium

C5H13NO2 — CID 20723246

IUPAC2-(2-hydroxyethoxy)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCOCCO
InChIInChI=1S/C5H13NO2/c1-6-2-4-8-5-3-7/h7H,1-6H2
InChIKeyCBTRBAJHPILSMZ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-1.65
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethyl-methanidylazanium

2-(2-hydroxyethoxy)ethyl-methanidylazanium (PubChem CID 20723246) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl-methanidylazanium.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl-methanidylazanium
PubChem CID20723246
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-(2-hydroxyethoxy)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCOCCO
InChIInChI=1S/C5H13NO2/c1-6-2-4-8-5-3-7/h7H,1-6H2
InChIKeyCBTRBAJHPILSMZ-UHFFFAOYSA-N
XLogP-1.65
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diglycolamine
CID 13578
Ethanol, 2-[2-(2-aminoethoxy)ethoxy]-
CID 95875
Ethanol, 2-2-(2-hydroxyethoxy)ethylamino-
CID 4396106
2-(2-((2-(2-Hydroxyethoxy)ethyl)amino)ethoxy)ethan-1-ol
CID 12212447
2-(2-(Methylamino)ethoxy)ethan-1-ol
CID 15514970
(2-(2-Methoxyethoxy)ethyl)(methyl)amine
CID 12700130
2-(2-(Ethylamino)ethoxy)ethan-1-ol
CID 28727773
2-{[2-(2-Methoxyethoxy)ethyl]amino}ethan-1-ol
CID 61848139
2-(Azetidin-3-yloxy)ethan-1-ol
CID 67388977
N-[2-(2-Hydroxyethoxy)ethyl]formamide
CID 259621
1-Amino-2-(2-hydroxyethoxy)ethanol
CID 15869812
Morpholin-3-ol
CID 18616889

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl-methanidylazanium?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl-methanidylazanium (CID 20723246) is 2-(2-hydroxyethoxy)ethyl-methanidylazanium.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl-methanidylazanium?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl-methanidylazanium is [CH2-][NH2+]CCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl-methanidylazanium?
The InChIKey is CBTRBAJHPILSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6-2-4-8-5-3-7/h7H,1-6H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl-methanidylazanium?
2-(2-hydroxyethoxy)ethyl-methanidylazanium has a molecular weight of 119.16 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl-methanidylazanium is sourced from PubChem (CID 20723246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).