2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine

C8H22N2O5 — CID 87326761

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine
SMILESCOCOCCN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C4H11NO2/c5-4(1-6,2-7)3-8;1-6-4-7-3-2-5/h6-8H,1-3,5H2;2-5H2,1H3
InChIKeyCFPQHPLICPTYNH-UHFFFAOYSA-N
MW226.27 g/mol
LogP-2.77
Rot. Bonds7

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine (PubChem CID 87326761) has the molecular formula C8H22N2O5 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine
PubChem CID87326761
Molecular FormulaC8H22N2O5
Molecular Weight226.27 g/mol
Exact Mass226.15
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine
SMILESCOCOCCN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C4H11NO2/c5-4(1-6,2-7)3-8;1-6-4-7-3-2-5/h6-8H,1-3,5H2;2-5H2,1H3
InChIKeyCFPQHPLICPTYNH-UHFFFAOYSA-N
XLogP-2.77
TPSA131.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-2.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
CID 22118202
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-methoxyethoxysilane
CID 173037815
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
CID 87493832
CID 87493832
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-(hydroxymethyl)-2-(methoxymethoxymethyl)propane-1,3-diol
CID 13418080
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
7-(methoxymethoxy)heptan-1-ol
CID 102354620
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
CID 88625079

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine (CID 87326761) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine is COCOCCN.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine?
The InChIKey is CFPQHPLICPTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C4H11NO2/c5-4(1-6,2-7)3-8;1-6-4-7-3-2-5/h6-8H,1-3,5H2;2-5H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine has a molecular weight of 226.27 g/mol, XLogP of -2.77, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine is sourced from PubChem (CID 87326761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).