(2S,3R)-3-(dimethylamino)butan-2-ol

C6H15NO — CID 59057802

IUPAC(2S,3R)-3-(dimethylamino)butan-2-ol
SMILESC[C@H](O)[C@@H](C)N(C)C
InChIInChI=1S/C6H15NO/c1-5(6(2)8)7(3)4/h5-6,8H,1-4H3/t5-,6+/m1/s1
InChIKeyAINPAHMIZZLYDO-RITPCOANSA-N
MW117.19 g/mol
LogP0.32
Rot. Bonds2

About (2S,3R)-3-(dimethylamino)butan-2-ol

(2S,3R)-3-(dimethylamino)butan-2-ol (PubChem CID 59057802) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S,3R)-3-(dimethylamino)butan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(dimethylamino)butan-2-ol
PubChem CID59057802
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S,3R)-3-(dimethylamino)butan-2-ol
SMILESC[C@H](O)[C@@H](C)N(C)C
InChIInChI=1S/C6H15NO/c1-5(6(2)8)7(3)4/h5-6,8H,1-4H3/t5-,6+/m1/s1
InChIKeyAINPAHMIZZLYDO-RITPCOANSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(dimethylamino)butan-2-ol?
The IUPAC name of (2S,3R)-3-(dimethylamino)butan-2-ol (CID 59057802) is (2S,3R)-3-(dimethylamino)butan-2-ol.
What is the SMILES notation for (2S,3R)-3-(dimethylamino)butan-2-ol?
The canonical SMILES for (2S,3R)-3-(dimethylamino)butan-2-ol is C[C@H](O)[C@@H](C)N(C)C.
What is the InChIKey of (2S,3R)-3-(dimethylamino)butan-2-ol?
The InChIKey is AINPAHMIZZLYDO-RITPCOANSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(6(2)8)7(3)4/h5-6,8H,1-4H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-(dimethylamino)butan-2-ol?
(2S,3R)-3-(dimethylamino)butan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(dimethylamino)butan-2-ol is sourced from PubChem (CID 59057802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).