2-(diethylamino)-2-methylpropane-1,3-diol

C8H19NO2 — CID 21452281

IUPAC2-(diethylamino)-2-methylpropane-1,3-diol
SMILESCCN(CC)C(C)(CO)CO
InChIInChI=1S/C8H19NO2/c1-4-9(5-2)8(3,6-10)7-11/h10-11H,4-7H2,1-3H3
InChIKeyZPIQFLHUISMWAW-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds5

About 2-(diethylamino)-2-methylpropane-1,3-diol

2-(diethylamino)-2-methylpropane-1,3-diol (PubChem CID 21452281) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(diethylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(diethylamino)-2-methylpropane-1,3-diol
PubChem CID21452281
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(diethylamino)-2-methylpropane-1,3-diol
SMILESCCN(CC)C(C)(CO)CO
InChIInChI=1S/C8H19NO2/c1-4-9(5-2)8(3,6-10)7-11/h10-11H,4-7H2,1-3H3
InChIKeyZPIQFLHUISMWAW-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
2-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 87329716
2-(diethylamino)-3-hydroxy-2-methylpropanal
CID 91229666
2-(hydroxymethyl)-2-[2,2,2-tris(diethylamino)ethyl]propane-1,3-diol
CID 175722922
1-amino-1-(diethylamino)ethanol
CID 57324850
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
N,N-diethyl-2-methylpropan-2-amine;dimethylsilane
CID 173297747
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2,3-bis(diethylamino)butane-1,3-diol
CID 57109468
tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 45092001
1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
CID 10013395

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(diethylamino)-2-methylpropane-1,3-diol (CID 21452281) is 2-(diethylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(diethylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(diethylamino)-2-methylpropane-1,3-diol is CCN(CC)C(C)(CO)CO.
What is the InChIKey of 2-(diethylamino)-2-methylpropane-1,3-diol?
The InChIKey is ZPIQFLHUISMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-9(5-2)8(3,6-10)7-11/h10-11H,4-7H2,1-3H3.
What are the key properties of 2-(diethylamino)-2-methylpropane-1,3-diol?
2-(diethylamino)-2-methylpropane-1,3-diol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 21452281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).