2-ethylbutyl(trimethyl)azanium hydroxide

C9H23NO — CID 135203842

IUPAC2-ethylbutyl(trimethyl)azanium hydroxide
SMILESCCC(CC)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C9H22N.H2O/c1-6-9(7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyANJYRPUIMLHTAQ-UHFFFAOYSA-M
MW161.29 g/mol
LogP1.95
Rot. Bonds4

About 2-ethylbutyl(trimethyl)azanium hydroxide

2-ethylbutyl(trimethyl)azanium hydroxide (PubChem CID 135203842) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is 2-ethylbutyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2-ethylbutyl(trimethyl)azanium hydroxide
PubChem CID135203842
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Name2-ethylbutyl(trimethyl)azanium hydroxide
SMILESCCC(CC)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C9H22N.H2O/c1-6-9(7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyANJYRPUIMLHTAQ-UHFFFAOYSA-M
XLogP1.95
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.95
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-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium
CID 173162360
2-aminobutyl(trimethyl)azanium
CID 57196894
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
trimethyl(2-octyldodecyl)azanium chloride
CID 19068813
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
trimethyl-[(2S)-2-(2-methylpropyl)hexyl]azanium
CID 170444964
3,6-diethyloctane
CID 526424
triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
CID 166895994
trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
CID 147336259
[(2R)-2-aminopropyl]-trimethylazanium
CID 89262982
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl(trimethyl)azanium hydroxide?
The IUPAC name of 2-ethylbutyl(trimethyl)azanium hydroxide (CID 135203842) is 2-ethylbutyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2-ethylbutyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2-ethylbutyl(trimethyl)azanium hydroxide is CCC(CC)C[N+](C)(C)C.[OH-].
What is the InChIKey of 2-ethylbutyl(trimethyl)azanium hydroxide?
The InChIKey is ANJYRPUIMLHTAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.H2O/c1-6-9(7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of 2-ethylbutyl(trimethyl)azanium hydroxide?
2-ethylbutyl(trimethyl)azanium hydroxide has a molecular weight of 161.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 135203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).