1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol

C6H15NO3 — CID 19959583

IUPAC1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCN(C)C(O)C(CO)CO
InChIInChI=1S/C6H15NO3/c1-7(2)6(10)5(3-8)4-9/h5-6,8-10H,3-4H2,1-2H3
InChIKeyHCACPVKQRHNREB-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.53
Rot. Bonds4

About 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol

1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 19959583) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID19959583
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESCN(C)C(O)C(CO)CO
InChIInChI=1S/C6H15NO3/c1-7(2)6(10)5(3-8)4-9/h5-6,8-10H,3-4H2,1-2H3
InChIKeyHCACPVKQRHNREB-UHFFFAOYSA-N
XLogP-1.53
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol (CID 19959583) is 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol is CN(C)C(O)C(CO)CO.
What is the InChIKey of 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is HCACPVKQRHNREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-7(2)6(10)5(3-8)4-9/h5-6,8-10H,3-4H2,1-2H3.
What are the key properties of 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol?
1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 149.19 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 19959583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).