(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol

C11H25NO2 — CID 29000840

IUPAC(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
SMILESCCCC[C@H](CC)COC[C@@H](O)CN
InChIInChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1
InChIKeyZTFVNXZDADBUST-QWRGUYRKSA-N
MW203.33 g/mol
LogP1.54
Rot. Bonds9

About (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol

(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol (PubChem CID 29000840) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
PubChem CID29000840
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
SMILESCCCC[C@H](CC)COC[C@@H](O)CN
InChIInChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1
InChIKeyZTFVNXZDADBUST-QWRGUYRKSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88753128
CID 88753128
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
1-(2-propylhexoxy)butan-2-ol
CID 58918426
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
[(2R)-3-[(2R)-2-ethylhexoxy]-2-hydroxypropyl] hexadecanoate
CID 76968327
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol (CID 29000840) is (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol is CCCC[C@H](CC)COC[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol?
The InChIKey is ZTFVNXZDADBUST-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol?
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol is sourced from PubChem (CID 29000840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).