3-ethyl-1,1-dimethylazetidin-1-ium

C7H16N+ — CID 130263001

IUPAC3-ethyl-1,1-dimethylazetidin-1-ium
SMILESCCC1C[N+](C)(C)C1
InChIInChI=1S/C7H16N/c1-4-7-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyZVAKHKTVURFCHO-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.10
Rot. Bonds1

About 3-ethyl-1,1-dimethylazetidin-1-ium

3-ethyl-1,1-dimethylazetidin-1-ium (PubChem CID 130263001) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethylazetidin-1-ium.

Molecular Properties

Compound Name3-ethyl-1,1-dimethylazetidin-1-ium
PubChem CID130263001
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name3-ethyl-1,1-dimethylazetidin-1-ium
SMILESCCC1C[N+](C)(C)C1
InChIInChI=1S/C7H16N/c1-4-7-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyZVAKHKTVURFCHO-UHFFFAOYSA-N
XLogP1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159214437
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium
CID 159989593
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine
CID 164811406
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1,2-diethyl-1-methylaziridin-1-ium
CID 91196823
6-ethylcyclohepta-1,3-diene
CID 123536313
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3,4-diethyl-1-methylpyrrolidine;chloride;hydrochloride
CID 162135828
4-ethyl-1-methyl-1-propylpyrazolidin-1-ium
CID 174168545
1,3-diethylcyclobutane;methane;propane
CID 161327157
1,3-diethylcyclopentane
CID 530396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethylazetidin-1-ium?
The IUPAC name of 3-ethyl-1,1-dimethylazetidin-1-ium (CID 130263001) is 3-ethyl-1,1-dimethylazetidin-1-ium.
What is the SMILES notation for 3-ethyl-1,1-dimethylazetidin-1-ium?
The canonical SMILES for 3-ethyl-1,1-dimethylazetidin-1-ium is CCC1C[N+](C)(C)C1.
What is the InChIKey of 3-ethyl-1,1-dimethylazetidin-1-ium?
The InChIKey is ZVAKHKTVURFCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-4-7-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of 3-ethyl-1,1-dimethylazetidin-1-ium?
3-ethyl-1,1-dimethylazetidin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethylazetidin-1-ium is sourced from PubChem (CID 130263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).