trimethyl(oxetan-2-yl)azanium

C6H14NO+ — CID 123711394

IUPACtrimethyl(oxetan-2-yl)azanium
SMILESC[N+](C)(C)C1CCO1
InChIInChI=1S/C6H14NO/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3/q+1
InChIKeyALOBJNLCVVSQBT-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.44
Rot. Bonds1

About trimethyl(oxetan-2-yl)azanium

trimethyl(oxetan-2-yl)azanium (PubChem CID 123711394) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is trimethyl(oxetan-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl(oxetan-2-yl)azanium
PubChem CID123711394
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Nametrimethyl(oxetan-2-yl)azanium
SMILESC[N+](C)(C)C1CCO1
InChIInChI=1S/C6H14NO/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3/q+1
InChIKeyALOBJNLCVVSQBT-UHFFFAOYSA-N
XLogP0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
oxetan-2-ol
CID 175273147
2,6-dimethyl-1,3-dioxocane
CID 67957151
oxolane-2,3-diol
CID 14778197
dimethoxysilane;trimethyl(oxetan-2-yloxy)azanium
CID 174536200
(2S,3S)-3-propan-2-yloxolan-2-ol
CID 138639961
3-propan-2-yloxolan-2-ol
CID 130130760
(2R,3S)-2-methyloxolane-3-carbaldehyde
CID 12560931
(2S,3R)-2-methyloxolane-3-carbaldehyde
CID 92908099
2-methyloxetane;propan-2-amine
CID 18626824
6-methyl-1,5,2-dioxazocane
CID 155479738

Frequently Asked Questions

What is the IUPAC name of trimethyl(oxetan-2-yl)azanium?
The IUPAC name of trimethyl(oxetan-2-yl)azanium (CID 123711394) is trimethyl(oxetan-2-yl)azanium.
What is the SMILES notation for trimethyl(oxetan-2-yl)azanium?
The canonical SMILES for trimethyl(oxetan-2-yl)azanium is C[N+](C)(C)C1CCO1.
What is the InChIKey of trimethyl(oxetan-2-yl)azanium?
The InChIKey is ALOBJNLCVVSQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3/q+1.
What are the key properties of trimethyl(oxetan-2-yl)azanium?
trimethyl(oxetan-2-yl)azanium has a molecular weight of 116.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(oxetan-2-yl)azanium is sourced from PubChem (CID 123711394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).