trimethyl(3-propoxypropyl)azanium

C9H22NO+ — CID 58783050

IUPACtrimethyl(3-propoxypropyl)azanium
SMILESCCCOCCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-5-8-11-9-6-7-10(2,3)4/h5-9H2,1-4H3/q+1
InChIKeyKTGVIKOHOITYEN-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds6

About trimethyl(3-propoxypropyl)azanium

trimethyl(3-propoxypropyl)azanium (PubChem CID 58783050) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is trimethyl(3-propoxypropyl)azanium.

Molecular Properties

Compound Nametrimethyl(3-propoxypropyl)azanium
PubChem CID58783050
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Nametrimethyl(3-propoxypropyl)azanium
SMILESCCCOCCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-5-8-11-9-6-7-10(2,3)4/h5-9H2,1-4H3/q+1
InChIKeyKTGVIKOHOITYEN-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
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(3-propoxypropyl)azanium?
The IUPAC name of trimethyl(3-propoxypropyl)azanium (CID 58783050) is trimethyl(3-propoxypropyl)azanium.
What is the SMILES notation for trimethyl(3-propoxypropyl)azanium?
The canonical SMILES for trimethyl(3-propoxypropyl)azanium is CCCOCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(3-propoxypropyl)azanium?
The InChIKey is KTGVIKOHOITYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-5-8-11-9-6-7-10(2,3)4/h5-9H2,1-4H3/q+1.
What are the key properties of trimethyl(3-propoxypropyl)azanium?
trimethyl(3-propoxypropyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-propoxypropyl)azanium is sourced from PubChem (CID 58783050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).