(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol

C11H26N2O2 — CID 3000886

IUPAC(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCN(C)[C@@H](CC)CO
InChIInChI=1S/C11H26N2O2/c1-4-10(8-14)12-6-7-13(3)11(5-2)9-15/h10-12,14-15H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyUIFWBSJONMEIPI-QWRGUYRKSA-N
MW218.34 g/mol
LogP0.05
Rot. Bonds9

About (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol (PubChem CID 3000886) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol
PubChem CID3000886
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCN(C)[C@@H](CC)CO
InChIInChI=1S/C11H26N2O2/c1-4-10(8-14)12-6-7-13(3)11(5-2)9-15/h10-12,14-15H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyUIFWBSJONMEIPI-QWRGUYRKSA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol (CID 3000886) is (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol is CC[C@@H](CO)NCCN(C)[C@@H](CC)CO.
What is the InChIKey of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol?
The InChIKey is UIFWBSJONMEIPI-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-10(8-14)12-6-7-13(3)11(5-2)9-15/h10-12,14-15H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol?
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol is sourced from PubChem (CID 3000886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).