2-(methylaminomethyl)propane-1,3-diol

C5H13NO2 — CID 23370799

IUPAC2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)CO
InChIInChI=1S/C5H13NO2/c1-6-2-5(3-7)4-8/h5-8H,2-4H2,1H3
InChIKeyXQQRDUJIAAHJTQ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-1.19
Rot. Bonds4

About 2-(methylaminomethyl)propane-1,3-diol

2-(methylaminomethyl)propane-1,3-diol (PubChem CID 23370799) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(methylaminomethyl)propane-1,3-diol
PubChem CID23370799
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)CO
InChIInChI=1S/C5H13NO2/c1-6-2-5(3-7)4-8/h5-8H,2-4H2,1H3
InChIKeyXQQRDUJIAAHJTQ-UHFFFAOYSA-N
XLogP-1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2-(methylaminomethyl)propane-1,3-diol (CID 23370799) is 2-(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2-(methylaminomethyl)propane-1,3-diol is CNCC(CO)CO.
What is the InChIKey of 2-(methylaminomethyl)propane-1,3-diol?
The InChIKey is XQQRDUJIAAHJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6-2-5(3-7)4-8/h5-8H,2-4H2,1H3.
What are the key properties of 2-(methylaminomethyl)propane-1,3-diol?
2-(methylaminomethyl)propane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 23370799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).