2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol

C8H19NO3 — CID 19742169

IUPAC2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol
SMILESCC(C)CNC(CO)(CO)CO
InChIInChI=1S/C8H19NO3/c1-7(2)3-9-8(4-10,5-11)6-12/h7,9-12H,3-6H2,1-2H3
InChIKeyYYKIHTCOBZINIO-UHFFFAOYSA-N
MW177.24 g/mol
LogP-1.05
Rot. Bonds6

About 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol (PubChem CID 19742169) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol
PubChem CID19742169
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol
SMILESCC(C)CNC(CO)(CO)CO
InChIInChI=1S/C8H19NO3/c1-7(2)3-9-8(4-10,5-11)6-12/h7,9-12H,3-6H2,1-2H3
InChIKeyYYKIHTCOBZINIO-UHFFFAOYSA-N
XLogP-1.05
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Bis-tris propane
CID 125132
2-[(2-Hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol
CID 81798
N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol
CID 1937568
2-(Ethylamino)-2-methylpropan-1-ol
CID 15105174
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-Methyl-2-(propan-2-ylamino)propan-1-ol
CID 15105175
2-(Ethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 1532701
2-[(2-Hydroxyethyl)amino]-2-methylpropan-1-ol
CID 2777768
2-Methylamino-2-hydroxymethyl-1,3-propanediol
CID 10164823
[Tris(hydroxymethyl)methylamino]-propane
CID 15991582

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol (CID 19742169) is 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol is CC(C)CNC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol?
The InChIKey is YYKIHTCOBZINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-7(2)3-9-8(4-10,5-11)6-12/h7,9-12H,3-6H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol has a molecular weight of 177.24 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2-methylpropylamino)propane-1,3-diol is sourced from PubChem (CID 19742169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).