4-(dimethylamino)butane-1,2-diol

C6H15NO2 — CID 12621260

IUPAC4-(dimethylamino)butane-1,2-diol
SMILESCN(C)CCC(O)CO
InChIInChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyZAJHMOZTXOGSJO-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.71
Rot. Bonds4

About 4-(dimethylamino)butane-1,2-diol

4-(dimethylamino)butane-1,2-diol (PubChem CID 12621260) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 4-(dimethylamino)butane-1,2-diol.

Molecular Properties

Compound Name4-(dimethylamino)butane-1,2-diol
PubChem CID12621260
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name4-(dimethylamino)butane-1,2-diol
SMILESCN(C)CCC(O)CO
InChIInChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyZAJHMOZTXOGSJO-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)-1,2-propanediol
CID 79078
4-(Dimethylamino)butan-2-ol
CID 10855427
3-(Dimethylamino)-1,2-propanediol, (R)-
CID 6951533
(2R)-4-(dimethylamino)butan-2-ol
CID 11029810
1-Methylpyrrolidine-2,3-diol
CID 67237875
(S)-3-(Dimethylamino)propane-1,2-diol
CID 2793804
4-(Methylamino)butane-1,2-diol
CID 20145591
(2S)-4-(dimethylamino)butane-1,2-diol
CID 12621261
1-(1-Hydroxyethyl)pyrrolidine-2,3-diol
CID 18962855
1-(Dimethylamino)butane-2,3-diol
CID 22068071
1-(Dimethylamino)pentane-2,3-diol
CID 22068075
3-Hydroxybutyl(trimethyl)azanium hydroxide
CID 22731873

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butane-1,2-diol?
The IUPAC name of 4-(dimethylamino)butane-1,2-diol (CID 12621260) is 4-(dimethylamino)butane-1,2-diol.
What is the SMILES notation for 4-(dimethylamino)butane-1,2-diol?
The canonical SMILES for 4-(dimethylamino)butane-1,2-diol is CN(C)CCC(O)CO.
What is the InChIKey of 4-(dimethylamino)butane-1,2-diol?
The InChIKey is ZAJHMOZTXOGSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-7(2)4-3-6(9)5-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 4-(dimethylamino)butane-1,2-diol?
4-(dimethylamino)butane-1,2-diol has a molecular weight of 133.19 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butane-1,2-diol is sourced from PubChem (CID 12621260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).