2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol

C13H29NO2 — CID 18979314

IUPAC2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol
SMILESCCCCN(CCCC)CC(C)(CO)CO
InChIInChI=1S/C13H29NO2/c1-4-6-8-14(9-7-5-2)10-13(3,11-15)12-16/h15-16H,4-12H2,1-3H3
InChIKeyFGRGEJHAFNAVAS-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.88
Rot. Bonds10

About 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol

2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol (PubChem CID 18979314) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol
PubChem CID18979314
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol
SMILESCCCCN(CCCC)CC(C)(CO)CO
InChIInChI=1S/C13H29NO2/c1-4-6-8-14(9-7-5-2)10-13(3,11-15)12-16/h15-16H,4-12H2,1-3H3
InChIKeyFGRGEJHAFNAVAS-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol (CID 18979314) is 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol is CCCCN(CCCC)CC(C)(CO)CO.
What is the InChIKey of 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol?
The InChIKey is FGRGEJHAFNAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-8-14(9-7-5-2)10-13(3,11-15)12-16/h15-16H,4-12H2,1-3H3.
What are the key properties of 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol?
2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol has a molecular weight of 231.38 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylamino)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 18979314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).