2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol

C8H20N2O3 — CID 18000625

IUPAC2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CN)(CO)NC(C)(CO)CO
InChIInChI=1S/C8H20N2O3/c1-7(3-9,4-11)10-8(2,5-12)6-13/h10-13H,3-6,9H2,1-2H3
InChIKeyOSFIPVOTYNJIRO-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.97
Rot. Bonds6

About 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol

2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol (PubChem CID 18000625) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
PubChem CID18000625
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CN)(CO)NC(C)(CO)CO
InChIInChI=1S/C8H20N2O3/c1-7(3-9,4-11)10-8(2,5-12)6-13/h10-13H,3-6,9H2,1-2H3
InChIKeyOSFIPVOTYNJIRO-UHFFFAOYSA-N
XLogP-1.97
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578
2-[2-[(1-Hydroxy-2-methylpropan-2-yl)amino]ethylamino]-2-methylpropan-1-ol;dihydrochloride
CID 470012
2-[2-[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 469995
2-[2-[(2-Hydroxy-1-methyl-ethyl)amino]ethylamino]propan-1-ol
CID 470081
2-[(2-Amino-1,1-dimethylethyl)amino]ethanol
CID 4460419
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]-2-methylbutan-1-ol
CID 44447055
2-[2-[[2-Hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]amino]ethylamino]-2-methyl-propane-1,3-diol
CID 469994
2-[2-(Tert-butylamino)ethylamino]butan-1-ol
CID 470076
(2s)-2-[2-[[(1r)-2-Hydroxy-1-methyl-ethyl]amino]ethylamino]propan-1-ol
CID 470082
(2S)-2-({2-[((1S)-2-Hydroxy-isopropyl)amino]ethyl}amino)propan-1-ol
CID 5482418
2-[(1-Amino-2-methylpropan-2-yl)amino]-2-methylpropan-1-ol
CID 247459

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol (CID 18000625) is 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol is CC(CN)(CO)NC(C)(CO)CO.
What is the InChIKey of 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The InChIKey is OSFIPVOTYNJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-7(3-9,4-11)10-8(2,5-12)6-13/h10-13H,3-6,9H2,1-2H3.
What are the key properties of 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of -1.97, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 18000625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).