3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol

C11H26N2O3 — CID 88540594

IUPAC3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNCC(O)CNCC(C)CO
InChIInChI=1S/C11H26N2O3/c1-9(7-14)3-12-5-11(16)6-13-4-10(2)8-15/h9-16H,3-8H2,1-2H3
InChIKeyFKOWHULXBKUYNJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP-1.22
Rot. Bonds10

About 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol

3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol (PubChem CID 88540594) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
PubChem CID88540594
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNCC(O)CNCC(C)CO
InChIInChI=1S/C11H26N2O3/c1-9(7-14)3-12-5-11(16)6-13-4-10(2)8-15/h9-16H,3-8H2,1-2H3
InChIKeyFKOWHULXBKUYNJ-UHFFFAOYSA-N
XLogP-1.22
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966
1,3-bis[(4-ethyl-2-methylhexyl)amino]propan-2-ol
CID 58325451
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol (CID 88540594) is 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol is CC(CO)CNCC(O)CNCC(C)CO.
What is the InChIKey of 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol?
The InChIKey is FKOWHULXBKUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-9(7-14)3-12-5-11(16)6-13-4-10(2)8-15/h9-16H,3-8H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol?
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of -1.22, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 88540594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).