2-(dimethylamino)-2,3-dimethylbutane-1,3-diol

C8H19NO2 — CID 141466339

IUPAC2-(dimethylamino)-2,3-dimethylbutane-1,3-diol
SMILESCN(C)C(C)(CO)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-7(2,11)8(3,6-10)9(4)5/h10-11H,6H2,1-5H3
InChIKeyXQVHMOLNUZEDBF-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds3

About 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol

2-(dimethylamino)-2,3-dimethylbutane-1,3-diol (PubChem CID 141466339) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol.

Molecular Properties

Compound Name2-(dimethylamino)-2,3-dimethylbutane-1,3-diol
PubChem CID141466339
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(dimethylamino)-2,3-dimethylbutane-1,3-diol
SMILESCN(C)C(C)(CO)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-7(2,11)8(3,6-10)9(4)5/h10-11H,6H2,1-5H3
InChIKeyXQVHMOLNUZEDBF-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)propane-1,2,3-triol
CID 118030741
2-(dimethylamino)propan-2-ol
CID 11251968
2-amino-2-(dimethylamino)propan-1-ol
CID 169080218
(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
2-methyl-1-phosphanylpropane-1,2-diol;bis(2-methylpropane-1,2-diol)
CID 89183868
2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714
carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
CID 160615904
azane;1,1-bis(dimethylamino)ethanol
CID 87415639
2-silylpropane-1,2-diol
CID 173442729
(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol
CID 34085051
N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
CID 19889994

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol?
The IUPAC name of 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol (CID 141466339) is 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol.
What is the SMILES notation for 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol?
The canonical SMILES for 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol is CN(C)C(C)(CO)C(C)(C)O.
What is the InChIKey of 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol?
The InChIKey is XQVHMOLNUZEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2,11)8(3,6-10)9(4)5/h10-11H,6H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol?
2-(dimethylamino)-2,3-dimethylbutane-1,3-diol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,3-dimethylbutane-1,3-diol is sourced from PubChem (CID 141466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).