2-(methoxymethyl)butyl-trimethylazanium

C9H22NO+ — CID 59940216

IUPAC2-(methoxymethyl)butyl-trimethylazanium
SMILESCCC(COC)C[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-9(8-11-5)7-10(2,3)4/h9H,6-8H2,1-5H3/q+1
InChIKeyKGBYLCAGKWVDFG-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.37
Rot. Bonds5

About 2-(methoxymethyl)butyl-trimethylazanium

2-(methoxymethyl)butyl-trimethylazanium (PubChem CID 59940216) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(methoxymethyl)butyl-trimethylazanium.

Molecular Properties

Compound Name2-(methoxymethyl)butyl-trimethylazanium
PubChem CID59940216
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name2-(methoxymethyl)butyl-trimethylazanium
SMILESCCC(COC)C[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-9(8-11-5)7-10(2,3)4/h9H,6-8H2,1-5H3/q+1
InChIKeyKGBYLCAGKWVDFG-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.37
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

3-(N,N-diethylaminomethyl)tetrahydrofuran
CID 14323080
(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 156843552
3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
CID 20603113
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783
3-(Methoxymethyl)pentyl-trimethylazanium
CID 20714785
3-methoxy-2-(methoxymethyl)-N,N-dimethylpropan-1-amine
CID 20728966
3-methoxy-N,N,2,3-tetramethylbutan-1-amine
CID 54299795
1-Ethyl-3-(methoxymethyl)pyrrolidine
CID 57609435
(3-Methoxy-2-methylpropyl)-trimethylazanium
CID 57896291
N,N-dimethyl-4-(2-methylpropoxy)butan-1-amine
CID 58069953
3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine
CID 58574426
N-ethyl-3-methoxy-N,2-dimethylpropan-1-amine
CID 58585712

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)butyl-trimethylazanium?
The IUPAC name of 2-(methoxymethyl)butyl-trimethylazanium (CID 59940216) is 2-(methoxymethyl)butyl-trimethylazanium.
What is the SMILES notation for 2-(methoxymethyl)butyl-trimethylazanium?
The canonical SMILES for 2-(methoxymethyl)butyl-trimethylazanium is CCC(COC)C[N+](C)(C)C.
What is the InChIKey of 2-(methoxymethyl)butyl-trimethylazanium?
The InChIKey is KGBYLCAGKWVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-6-9(8-11-5)7-10(2,3)4/h9H,6-8H2,1-5H3/q+1.
What are the key properties of 2-(methoxymethyl)butyl-trimethylazanium?
2-(methoxymethyl)butyl-trimethylazanium has a molecular weight of 160.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)butyl-trimethylazanium is sourced from PubChem (CID 59940216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).