trimethyl(2-nonoxyethyl)azanium

C14H32NO+ — CID 57136758

IUPACtrimethyl(2-nonoxyethyl)azanium
SMILESCCCCCCCCCOCC[N+](C)(C)C
InChIInChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-13-16-14-12-15(2,3)4/h5-14H2,1-4H3/q+1
InChIKeyOVBDHOISVCFSRM-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.46
Rot. Bonds11

About trimethyl(2-nonoxyethyl)azanium

trimethyl(2-nonoxyethyl)azanium (PubChem CID 57136758) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is trimethyl(2-nonoxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-nonoxyethyl)azanium
PubChem CID57136758
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Nametrimethyl(2-nonoxyethyl)azanium
SMILESCCCCCCCCCOCC[N+](C)(C)C
InChIInChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-13-16-14-12-15(2,3)4/h5-14H2,1-4H3/q+1
InChIKeyOVBDHOISVCFSRM-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-nonoxyethyl)azanium?
The IUPAC name of trimethyl(2-nonoxyethyl)azanium (CID 57136758) is trimethyl(2-nonoxyethyl)azanium.
What is the SMILES notation for trimethyl(2-nonoxyethyl)azanium?
The canonical SMILES for trimethyl(2-nonoxyethyl)azanium is CCCCCCCCCOCC[N+](C)(C)C.
What is the InChIKey of trimethyl(2-nonoxyethyl)azanium?
The InChIKey is OVBDHOISVCFSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-5-6-7-8-9-10-11-13-16-14-12-15(2,3)4/h5-14H2,1-4H3/q+1.
What are the key properties of trimethyl(2-nonoxyethyl)azanium?
trimethyl(2-nonoxyethyl)azanium has a molecular weight of 230.42 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-nonoxyethyl)azanium is sourced from PubChem (CID 57136758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).