1-methoxyethyl-dimethyl-propylazanium

C8H20NO+ — CID 87324332

IUPAC1-methoxyethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C(C)OC
InChIInChI=1S/C8H20NO/c1-6-7-9(3,4)8(2)10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyBPMQDRGTIMBHNQ-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.47
Rot. Bonds4

About 1-methoxyethyl-dimethyl-propylazanium

1-methoxyethyl-dimethyl-propylazanium (PubChem CID 87324332) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-methoxyethyl-dimethyl-propylazanium.

Molecular Properties

Compound Name1-methoxyethyl-dimethyl-propylazanium
PubChem CID87324332
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name1-methoxyethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C(C)OC
InChIInChI=1S/C8H20NO/c1-6-7-9(3,4)8(2)10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyBPMQDRGTIMBHNQ-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
CID 175573015
ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium
CID 23091880
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
1-aminopropan-2-yl-dimethyl-propylazanium
CID 123318455
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515
1-methoxyethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 174493549
diethyl-propan-2-yl-propylazanium
CID 22044352
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
methoxymethyl-dimethyl-propylazanium
CID 87334195
antimony(3+);tetrapropylazanium
CID 18954503
dimethyl-(1-octadecanoyloxyethyl)-octadecylazanium
CID 87530867
dimethyl-(1-sulfooxyethyl)-tetradecylazanium chloride
CID 88632022

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl-dimethyl-propylazanium?
The IUPAC name of 1-methoxyethyl-dimethyl-propylazanium (CID 87324332) is 1-methoxyethyl-dimethyl-propylazanium.
What is the SMILES notation for 1-methoxyethyl-dimethyl-propylazanium?
The canonical SMILES for 1-methoxyethyl-dimethyl-propylazanium is CCC[N+](C)(C)C(C)OC.
What is the InChIKey of 1-methoxyethyl-dimethyl-propylazanium?
The InChIKey is BPMQDRGTIMBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-6-7-9(3,4)8(2)10-5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of 1-methoxyethyl-dimethyl-propylazanium?
1-methoxyethyl-dimethyl-propylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl-dimethyl-propylazanium is sourced from PubChem (CID 87324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).