2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

C11H26N2O6 — CID 22051438

IUPAC2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(CNC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C11H26N2O6/c1-9(13-11(6-17,7-18)8-19)2-12-10(3-14,4-15)5-16/h9,12-19H,2-8H2,1H3
InChIKeyBRVXYMIDCKIHSX-UHFFFAOYSA-N
MW282.34 g/mol
LogP-4.01
Rot. Bonds11

About 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 22051438) has the molecular formula C11H26N2O6 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID22051438
Molecular FormulaC11H26N2O6
Molecular Weight282.34 g/mol
Exact Mass282.18
IUPAC Name2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(CNC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C11H26N2O6/c1-9(13-11(6-17,7-18)8-19)2-12-10(3-14,4-15)5-16/h9,12-19H,2-8H2,1H3
InChIKeyBRVXYMIDCKIHSX-UHFFFAOYSA-N
XLogP-4.01
TPSA145.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 5-4.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

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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-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 22051438) is 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol is CC(CNC(CO)(CO)CO)NC(CO)(CO)CO.
What is the InChIKey of 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is BRVXYMIDCKIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O6/c1-9(13-11(6-17,7-18)8-19)2-12-10(3-14,4-15)5-16/h9,12-19H,2-8H2,1H3.
What are the key properties of 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol?
2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 282.34 g/mol, XLogP of -4.01, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 22051438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).