hydroxymethyl(trimethyl)azanium hydroxide

C4H13NO2 — CID 15559305

IUPAChydroxymethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CO.[OH-]
InChIInChI=1S/C4H12NO.H2O/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H2/q+1;/p-1
InChIKeyMYMDYWSMEBELMC-UHFFFAOYSA-M
MW107.15 g/mol
LogP-0.53
Rot. Bonds1

About hydroxymethyl(trimethyl)azanium hydroxide

hydroxymethyl(trimethyl)azanium hydroxide (PubChem CID 15559305) has the molecular formula C4H13NO2 and a molecular weight of 107.15 g/mol. Its IUPAC name is hydroxymethyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Namehydroxymethyl(trimethyl)azanium hydroxide
PubChem CID15559305
Molecular FormulaC4H13NO2
Molecular Weight107.15 g/mol
Exact Mass107.09
IUPAC Namehydroxymethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CO.[OH-]
InChIInChI=1S/C4H12NO.H2O/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H2/q+1;/p-1
InChIKeyMYMDYWSMEBELMC-UHFFFAOYSA-M
XLogP-0.53
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze hydroxymethyl(trimethyl)azanium hydroxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl(trimethyl)azanium hydroxide?
The IUPAC name of hydroxymethyl(trimethyl)azanium hydroxide (CID 15559305) is hydroxymethyl(trimethyl)azanium hydroxide.
What is the SMILES notation for hydroxymethyl(trimethyl)azanium hydroxide?
The canonical SMILES for hydroxymethyl(trimethyl)azanium hydroxide is C[N+](C)(C)CO.[OH-].
What is the InChIKey of hydroxymethyl(trimethyl)azanium hydroxide?
The InChIKey is MYMDYWSMEBELMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO.H2O/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of hydroxymethyl(trimethyl)azanium hydroxide?
hydroxymethyl(trimethyl)azanium hydroxide has a molecular weight of 107.15 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 15559305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).