azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol

C5H15NO3 — CID 88666778

IUPACazane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO.N
InChIInChI=1S/C5H12O3.H3N/c1-5(2-6,3-7)4-8;/h6-8H,2-4H2,1H3;1H3
InChIKeyUBNJKMCEQNQTBE-UHFFFAOYSA-N
MW137.18 g/mol
LogP-0.87
Rot. Bonds3

About azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol

azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol (PubChem CID 88666778) has the molecular formula C5H15NO3 and a molecular weight of 137.18 g/mol. Its IUPAC name is azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Nameazane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
PubChem CID88666778
Molecular FormulaC5H15NO3
Molecular Weight137.18 g/mol
Exact Mass137.11
IUPAC Nameazane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO.N
InChIInChI=1S/C5H12O3.H3N/c1-5(2-6,3-7)4-8;/h6-8H,2-4H2,1H3;1H3
InChIKeyUBNJKMCEQNQTBE-UHFFFAOYSA-N
XLogP-0.87
TPSA95.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The IUPAC name of azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol (CID 88666778) is azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)CO.N.
What is the InChIKey of azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The InChIKey is UBNJKMCEQNQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.H3N/c1-5(2-6,3-7)4-8;/h6-8H,2-4H2,1H3;1H3.
What are the key properties of azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol?
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol has a molecular weight of 137.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 88666778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).