2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol

C9H22N2O2 — CID 57017154

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol
SMILESCNCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C9H22N2O2/c1-8(2,6-12)11-9(3,7-13)5-10-4/h10-13H,5-7H2,1-4H3
InChIKeyJZHYSLFZNMZFLG-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.68
Rot. Bonds6

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol (PubChem CID 57017154) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol
PubChem CID57017154
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol
SMILESCNCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C9H22N2O2/c1-8(2,6-12)11-9(3,7-13)5-10-4/h10-13H,5-7H2,1-4H3
InChIKeyJZHYSLFZNMZFLG-UHFFFAOYSA-N
XLogP-0.68
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-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

Related Compounds

Ethambutol
CID 14052
Ethambutol Hydrochloride
CID 14051
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
Bis-tris propane
CID 125132
N1-(2-Hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226840
N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
CID 16051971
(2S)-2-[(2-{[(1S)-2-hydroxy-1-(methylethyl)ethyl]amino}ethyl)amino]-3-methylbutan-1-ol
CID 486264

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol (CID 57017154) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol is CNCC(C)(CO)NC(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol?
The InChIKey is JZHYSLFZNMZFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(2,6-12)11-9(3,7-13)5-10-4/h10-13H,5-7H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of -0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 57017154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).