trimethyl(2-pyrrolidin-1-yloxyethyl)azanium

C9H21N2O+ — CID 54081289

IUPACtrimethyl(2-pyrrolidin-1-yloxyethyl)azanium
SMILESC[N+](C)(C)CCON1CCCC1
InChIInChI=1S/C9H21N2O/c1-11(2,3)8-9-12-10-6-4-5-7-10/h4-9H2,1-3H3/q+1
InChIKeyMNHNYBQJJJZEMB-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.72
Rot. Bonds4

About trimethyl(2-pyrrolidin-1-yloxyethyl)azanium

trimethyl(2-pyrrolidin-1-yloxyethyl)azanium (PubChem CID 54081289) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is trimethyl(2-pyrrolidin-1-yloxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-pyrrolidin-1-yloxyethyl)azanium
PubChem CID54081289
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Nametrimethyl(2-pyrrolidin-1-yloxyethyl)azanium
SMILESC[N+](C)(C)CCON1CCCC1
InChIInChI=1S/C9H21N2O/c1-11(2,3)8-9-12-10-6-4-5-7-10/h4-9H2,1-3H3/q+1
InChIKeyMNHNYBQJJJZEMB-UHFFFAOYSA-N
XLogP0.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pyrrolidin-1-yloxyethyl)azanium?
The IUPAC name of trimethyl(2-pyrrolidin-1-yloxyethyl)azanium (CID 54081289) is trimethyl(2-pyrrolidin-1-yloxyethyl)azanium.
What is the SMILES notation for trimethyl(2-pyrrolidin-1-yloxyethyl)azanium?
The canonical SMILES for trimethyl(2-pyrrolidin-1-yloxyethyl)azanium is C[N+](C)(C)CCON1CCCC1.
What is the InChIKey of trimethyl(2-pyrrolidin-1-yloxyethyl)azanium?
The InChIKey is MNHNYBQJJJZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O/c1-11(2,3)8-9-12-10-6-4-5-7-10/h4-9H2,1-3H3/q+1.
What are the key properties of trimethyl(2-pyrrolidin-1-yloxyethyl)azanium?
trimethyl(2-pyrrolidin-1-yloxyethyl)azanium has a molecular weight of 173.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrrolidin-1-yloxyethyl)azanium is sourced from PubChem (CID 54081289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).