2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol

C9H21NO3 — CID 104553558

IUPAC2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)N(C)CC(C)(CO)CO
InChIInChI=1S/C9H21NO3/c1-8(4-11)10(3)5-9(2,6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyHOYCZUGHBKRTJG-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.71
Rot. Bonds6

About 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol

2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol (PubChem CID 104553558) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
PubChem CID104553558
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)N(C)CC(C)(CO)CO
InChIInChI=1S/C9H21NO3/c1-8(4-11)10(3)5-9(2,6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyHOYCZUGHBKRTJG-UHFFFAOYSA-N
XLogP-0.71
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[1-hydroxypropan-2-yl(methyl)amino]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

Related Compounds

2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
CID 104554746
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
CID 104554515
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
2-[(dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
2-amino-2-methyl-3-[methyl(4-methylpentan-2-yl)amino]propan-1-ol
CID 64826194
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
CID 19889994
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol (CID 104553558) is 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol is CC(CO)N(C)CC(C)(CO)CO.
What is the InChIKey of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is HOYCZUGHBKRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(4-11)10(3)5-9(2,6-12)7-13/h8,11-13H,4-7H2,1-3H3.
What are the key properties of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 191.27 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 104553558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).