[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium

C10H24NO3+ — CID 20603111

IUPAC[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium
SMILESCC(COCC(O)CO)C[N+](C)(C)C
InChIInChI=1S/C10H24NO3/c1-9(5-11(2,3)4)7-14-8-10(13)6-12/h9-10,12-13H,5-8H2,1-4H3/q+1
InChIKeySYCNMJUXEZQMGX-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.30
Rot. Bonds7

About [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium

[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium (PubChem CID 20603111) has the molecular formula C10H24NO3+ and a molecular weight of 206.31 g/mol. Its IUPAC name is [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium
PubChem CID20603111
Molecular FormulaC10H24NO3+
Molecular Weight206.31 g/mol
Exact Mass206.18
IUPAC Name[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium
SMILESCC(COCC(O)CO)C[N+](C)(C)C
InChIInChI=1S/C10H24NO3/c1-9(5-11(2,3)4)7-14-8-10(13)6-12/h9-10,12-13H,5-8H2,1-4H3/q+1
InChIKeySYCNMJUXEZQMGX-UHFFFAOYSA-N
XLogP-0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(Dimethylamino)-3-propoxypropan-2-ol
CID 13147008
2-Hydroxy-3-(2-hydroxyethoxy)-N,N,N-trimethyl-1-propanaminium
CID 22235278
(3-Ethoxy-2-hydroxypropyl)-trimethylazanium
CID 22266946
1-(Dimethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 4419707
(2S)-1-(dimethylamino)-3-propoxypropan-2-ol
CID 170849658
3-(2-Methylpropoxy)-1-diethylaminopropan-2-ol
CID 15622949
[2-Hydroxy-3-(2-hydroxypropoxy)propyl]-trimethylazanium
CID 18421254
1,3-Bis[1-(dimethylamino)propoxy]propan-2-ol
CID 18702096
1-[3-(Dimethylamino)propoxy]butan-2-ol
CID 19909198
2-[3-(Dimethylamino)propoxy]butan-1-ol
CID 19909199
1-[1-(Dimethylamino)propoxy]propan-2-ol
CID 19936984
2-[4-(Dimethylamino)butan-2-yloxy]ethanol
CID 20441721

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium?
The IUPAC name of [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium (CID 20603111) is [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium.
What is the SMILES notation for [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium?
The canonical SMILES for [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium is CC(COCC(O)CO)C[N+](C)(C)C.
What is the InChIKey of [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium?
The InChIKey is SYCNMJUXEZQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3/c1-9(5-11(2,3)4)7-14-8-10(13)6-12/h9-10,12-13H,5-8H2,1-4H3/q+1.
What are the key properties of [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium?
[3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium has a molecular weight of 206.31 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroxypropoxy)-2-methylpropyl]-trimethylazanium is sourced from PubChem (CID 20603111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).