(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium

C10H24NO2+ — CID 88878402

IUPAC(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
SMILESCCC(C)OCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H24NO2/c1-6-9(2)13-8-10(12)7-11(3,4)5/h9-10,12H,6-8H2,1-5H3/q+1
InChIKeyLJLSXVIPDIBPSZ-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.87
Rot. Bonds6

About (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium

(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium (PubChem CID 88878402) has the molecular formula C10H24NO2+ and a molecular weight of 190.31 g/mol. Its IUPAC name is (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium.

Molecular Properties

Compound Name(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
PubChem CID88878402
Molecular FormulaC10H24NO2+
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
SMILESCCC(C)OCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H24NO2/c1-6-9(2)13-8-10(12)7-11(3,4)5/h9-10,12H,6-8H2,1-5H3/q+1
InChIKeyLJLSXVIPDIBPSZ-UHFFFAOYSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
CID 21106306
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
1-butan-2-yloxy-3-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]propan-2-ol
CID 59844255
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium?
The IUPAC name of (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium (CID 88878402) is (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium.
What is the SMILES notation for (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium?
The canonical SMILES for (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium is CCC(C)OCC(O)C[N+](C)(C)C.
What is the InChIKey of (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium?
The InChIKey is LJLSXVIPDIBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2/c1-6-9(2)13-8-10(12)7-11(3,4)5/h9-10,12H,6-8H2,1-5H3/q+1.
What are the key properties of (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium?
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium has a molecular weight of 190.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium is sourced from PubChem (CID 88878402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).