dimethylaminomethanediol

C3H9NO2 — CID 5259295

IUPACdimethylaminomethanediol
SMILESCN(C)C(O)O
InChIInChI=1S/C3H9NO2/c1-4(2)3(5)6/h3,5-6H,1-2H3
InChIKeyRHWTXKAROJQBFW-UHFFFAOYSA-N
MW91.11 g/mol
LogP-1.18
Rot. Bonds1

About dimethylaminomethanediol

dimethylaminomethanediol (PubChem CID 5259295) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is dimethylaminomethanediol.

Molecular Properties

Compound Namedimethylaminomethanediol
PubChem CID5259295
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Namedimethylaminomethanediol
SMILESCN(C)C(O)O
InChIInChI=1S/C3H9NO2/c1-4(2)3(5)6/h3,5-6H,1-2H3
InChIKeyRHWTXKAROJQBFW-UHFFFAOYSA-N
XLogP-1.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylaminomethanediol?
The IUPAC name of dimethylaminomethanediol (CID 5259295) is dimethylaminomethanediol.
What is the SMILES notation for dimethylaminomethanediol?
The canonical SMILES for dimethylaminomethanediol is CN(C)C(O)O.
What is the InChIKey of dimethylaminomethanediol?
The InChIKey is RHWTXKAROJQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-4(2)3(5)6/h3,5-6H,1-2H3.
What are the key properties of dimethylaminomethanediol?
dimethylaminomethanediol has a molecular weight of 91.11 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminomethanediol is sourced from PubChem (CID 5259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).