3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine

C9H19NO2 — CID 45091141

IUPAC3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine
SMILESCOC1(OC)CN(C(C)C)C1C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-9(11-4,12-5)8(10)3/h7-8H,6H2,1-5H3
InChIKeyHSTYWSWEOHLVMD-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.09
Rot. Bonds3

About 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine

3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine (PubChem CID 45091141) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine
PubChem CID45091141
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine
SMILESCOC1(OC)CN(C(C)C)C1C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-9(11-4,12-5)8(10)3/h7-8H,6H2,1-5H3
InChIKeyHSTYWSWEOHLVMD-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine?
The IUPAC name of 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine (CID 45091141) is 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine?
The canonical SMILES for 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine is COC1(OC)CN(C(C)C)C1C.
What is the InChIKey of 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine?
The InChIKey is HSTYWSWEOHLVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-6-9(11-4,12-5)8(10)3/h7-8H,6H2,1-5H3.
What are the key properties of 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine?
3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine has a molecular weight of 173.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-1-propan-2-ylazetidine is sourced from PubChem (CID 45091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).