1,2,3-trimethylazetidin-1-ium

C6H14N+ — CID 163413657

IUPAC1,2,3-trimethylazetidin-1-ium
SMILESCC1C[NH+](C)C1C
InChIInChI=1S/C6H13N/c1-5-4-7(3)6(5)2/h5-6H,4H2,1-3H3/p+1
InChIKeyACPFWOWRQMPDDM-UHFFFAOYSA-O
MW100.19 g/mol
LogP-0.46
Rot. Bonds

About 1,2,3-trimethylazetidin-1-ium

1,2,3-trimethylazetidin-1-ium (PubChem CID 163413657) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is 1,2,3-trimethylazetidin-1-ium.

Molecular Properties

Compound Name1,2,3-trimethylazetidin-1-ium
PubChem CID163413657
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC Name1,2,3-trimethylazetidin-1-ium
SMILESCC1C[NH+](C)C1C
InChIInChI=1S/C6H13N/c1-5-4-7(3)6(5)2/h5-6H,4H2,1-3H3/p+1
InChIKeyACPFWOWRQMPDDM-UHFFFAOYSA-O
XLogP-0.46
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylaziridin-1-ium
CID 59383272
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7201099
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methylpropyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7714562
(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
CID 6984969
(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
CID 6984944
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide
CID 170022117
(2S,5R)-1,2,5-trimethylpiperidin-1-ium-3-one
CID 7201180
benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7175875
(3R)-2,3-dimethylazetidine
CID 154523082
4,5-dimethylcyclohexane-1,2-diol
CID 13429582

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylazetidin-1-ium?
The IUPAC name of 1,2,3-trimethylazetidin-1-ium (CID 163413657) is 1,2,3-trimethylazetidin-1-ium.
What is the SMILES notation for 1,2,3-trimethylazetidin-1-ium?
The canonical SMILES for 1,2,3-trimethylazetidin-1-ium is CC1C[NH+](C)C1C.
What is the InChIKey of 1,2,3-trimethylazetidin-1-ium?
The InChIKey is ACPFWOWRQMPDDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N/c1-5-4-7(3)6(5)2/h5-6H,4H2,1-3H3/p+1.
What are the key properties of 1,2,3-trimethylazetidin-1-ium?
1,2,3-trimethylazetidin-1-ium has a molecular weight of 100.19 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylazetidin-1-ium is sourced from PubChem (CID 163413657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).