ethoxymethyl(tripropyl)azanium

C12H28NO+ — CID 87333996

IUPACethoxymethyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)COCC
InChIInChI=1S/C12H28NO/c1-5-9-13(10-6-2,11-7-3)12-14-8-4/h5-12H2,1-4H3/q+1
InChIKeyURDYKTRHJTYNMQ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.03
Rot. Bonds9

About ethoxymethyl(tripropyl)azanium

ethoxymethyl(tripropyl)azanium (PubChem CID 87333996) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is ethoxymethyl(tripropyl)azanium.

Molecular Properties

Compound Nameethoxymethyl(tripropyl)azanium
PubChem CID87333996
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Nameethoxymethyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)COCC
InChIInChI=1S/C12H28NO/c1-5-9-13(10-6-2,11-7-3)12-14-8-4/h5-12H2,1-4H3/q+1
InChIKeyURDYKTRHJTYNMQ-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.03
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

2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
antimony(3+);tetrapropylazanium
CID 18954503
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
ethoxyethane;sulfane
CID 87243372
ethoxyethane;sulfane
CID 90240371
bis(ethoxymethyl)-bis(prop-2-enyl)azanium chloride
CID 21284600
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrapropylazanium;bromide;hydrobromide
CID 87689277
ethoxymethyl-diethyl-methylazanium
CID 23136746
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
ethoxyethane
CID 19002445

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl(tripropyl)azanium?
The IUPAC name of ethoxymethyl(tripropyl)azanium (CID 87333996) is ethoxymethyl(tripropyl)azanium.
What is the SMILES notation for ethoxymethyl(tripropyl)azanium?
The canonical SMILES for ethoxymethyl(tripropyl)azanium is CCC[N+](CCC)(CCC)COCC.
What is the InChIKey of ethoxymethyl(tripropyl)azanium?
The InChIKey is URDYKTRHJTYNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO/c1-5-9-13(10-6-2,11-7-3)12-14-8-4/h5-12H2,1-4H3/q+1.
What are the key properties of ethoxymethyl(tripropyl)azanium?
ethoxymethyl(tripropyl)azanium has a molecular weight of 202.36 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl(tripropyl)azanium is sourced from PubChem (CID 87333996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).