2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol

C12H27NO3 — CID 62264622

IUPAC2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)CC(O)COC
InChIInChI=1S/C12H27NO3/c1-5-6-12(2,10-14)9-13(3)7-11(15)8-16-4/h11,14-15H,5-10H2,1-4H3
InChIKeySHOZTOGOHBYSMR-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.72
Rot. Bonds9

About 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol

2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol (PubChem CID 62264622) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol
PubChem CID62264622
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)CC(O)COC
InChIInChI=1S/C12H27NO3/c1-5-6-12(2,10-14)9-13(3)7-11(15)8-16-4/h11,14-15H,5-10H2,1-4H3
InChIKeySHOZTOGOHBYSMR-UHFFFAOYSA-N
XLogP0.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol 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-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol (CID 62264622) is 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN(C)CC(O)COC.
What is the InChIKey of 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol?
The InChIKey is SHOZTOGOHBYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-6-12(2,10-14)9-13(3)7-11(15)8-16-4/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol?
2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 62264622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).