2-(2,2-dimethoxyethyl)azetidine

C7H15NO2 — CID 70447593

IUPAC2-(2,2-dimethoxyethyl)azetidine
SMILESCOC(CC1CCN1)OC
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)5-6-3-4-8-6/h6-8H,3-5H2,1-2H3
InChIKeyFXYZKRHDTNJDTQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)azetidine

2-(2,2-dimethoxyethyl)azetidine (PubChem CID 70447593) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)azetidine.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)azetidine
PubChem CID70447593
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(2,2-dimethoxyethyl)azetidine
SMILESCOC(CC1CCN1)OC
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)5-6-3-4-8-6/h6-8H,3-5H2,1-2H3
InChIKeyFXYZKRHDTNJDTQ-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)azetidine
CID 58227482
1-(azetidin-2-yl)-3-methylbutan-2-ol
CID 105428563
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
2-(2,2-dimethoxyethyl)-1,3-dioxolane
CID 14470922
ethane;2-ethylazetidine
CID 90717086
2-(2-methoxypropyl)piperazine
CID 53405896
2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
CID 84734554
1-(azetidin-2-yl)propan-2-one
CID 91315786
1-(azetidin-2-yl)-4-methylpentan-2-one
CID 105430403
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)azetidine?
The IUPAC name of 2-(2,2-dimethoxyethyl)azetidine (CID 70447593) is 2-(2,2-dimethoxyethyl)azetidine.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)azetidine?
The canonical SMILES for 2-(2,2-dimethoxyethyl)azetidine is COC(CC1CCN1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)azetidine?
The InChIKey is FXYZKRHDTNJDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-7(10-2)5-6-3-4-8-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)azetidine?
2-(2,2-dimethoxyethyl)azetidine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)azetidine is sourced from PubChem (CID 70447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).