[hydroxymethyl(methyl)amino]methanol

C3H9NO2 — CID 14205709

IUPAC[hydroxymethyl(methyl)amino]methanol
SMILESCN(CO)CO
InChIInChI=1S/C3H9NO2/c1-4(2-5)3-6/h5-6H,2-3H2,1H3
InChIKeyJZSWZDBPGBBRNA-UHFFFAOYSA-N
MW91.11 g/mol
LogP-1.18
Rot. Bonds2

About [hydroxymethyl(methyl)amino]methanol

[hydroxymethyl(methyl)amino]methanol (PubChem CID 14205709) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is [hydroxymethyl(methyl)amino]methanol.

Molecular Properties

Compound Name[hydroxymethyl(methyl)amino]methanol
PubChem CID14205709
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name[hydroxymethyl(methyl)amino]methanol
SMILESCN(CO)CO
InChIInChI=1S/C3H9NO2/c1-4(2-5)3-6/h5-6H,2-3H2,1H3
InChIKeyJZSWZDBPGBBRNA-UHFFFAOYSA-N
XLogP-1.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 [hydroxymethyl(methyl)amino]methanol?
The IUPAC name of [hydroxymethyl(methyl)amino]methanol (CID 14205709) is [hydroxymethyl(methyl)amino]methanol.
What is the SMILES notation for [hydroxymethyl(methyl)amino]methanol?
The canonical SMILES for [hydroxymethyl(methyl)amino]methanol is CN(CO)CO.
What is the InChIKey of [hydroxymethyl(methyl)amino]methanol?
The InChIKey is JZSWZDBPGBBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-4(2-5)3-6/h5-6H,2-3H2,1H3.
What are the key properties of [hydroxymethyl(methyl)amino]methanol?
[hydroxymethyl(methyl)amino]methanol has a molecular weight of 91.11 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(methyl)amino]methanol is sourced from PubChem (CID 14205709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).