trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium

C11H26NO+ — CID 147336259

IUPACtrimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
SMILESCCC(C[N+](C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H26NO/c1-8-10(9-12(5,6)7)13-11(2,3)4/h10H,8-9H2,1-7H3/q+1
InChIKeyDCPSYSAUAWMIBK-UHFFFAOYSA-N
MW188.33 g/mol
LogP2.29
Rot. Bonds4

About trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium

trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium (PubChem CID 147336259) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
PubChem CID147336259
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Nametrimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
SMILESCCC(C[N+](C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H26NO/c1-8-10(9-12(5,6)7)13-11(2,3)4/h10H,8-9H2,1-7H3/q+1
InChIKeyDCPSYSAUAWMIBK-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
3-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 43368459
1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
CID 142260461
1-(trimethylazaniumyl)butan-2-yl hydrogen phosphate
CID 87076756
2-[ethoxy(hydroxy)phosphoryl]oxybutyl-trimethylazanium
CID 150212741
(2-butoxy-3-fluoropropyl)-trimethylazanium
CID 87169985
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
CID 87964568
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
2-ethylbutyl(trimethyl)azanium hydroxide
CID 135203842
3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 104840592

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium?
The IUPAC name of trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium (CID 147336259) is trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium?
The canonical SMILES for trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium is CCC(C[N+](C)(C)C)OC(C)(C)C.
What is the InChIKey of trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium?
The InChIKey is DCPSYSAUAWMIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO/c1-8-10(9-12(5,6)7)13-11(2,3)4/h10H,8-9H2,1-7H3/q+1.
What are the key properties of trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium?
trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium has a molecular weight of 188.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium is sourced from PubChem (CID 147336259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).