3-(2,2-dimethylpropoxy)-1-ethylazetidine

C10H21NO — CID 90140971

IUPAC3-(2,2-dimethylpropoxy)-1-ethylazetidine
SMILESCCN1CC(OCC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-5-11-6-9(7-11)12-8-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDUKGQXDUPDNUHM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 3-(2,2-dimethylpropoxy)-1-ethylazetidine

3-(2,2-dimethylpropoxy)-1-ethylazetidine (PubChem CID 90140971) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-1-ethylazetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-1-ethylazetidine
PubChem CID90140971
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(2,2-dimethylpropoxy)-1-ethylazetidine
SMILESCCN1CC(OCC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-5-11-6-9(7-11)12-8-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDUKGQXDUPDNUHM-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-1-ethylazetidine?
The IUPAC name of 3-(2,2-dimethylpropoxy)-1-ethylazetidine (CID 90140971) is 3-(2,2-dimethylpropoxy)-1-ethylazetidine.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-1-ethylazetidine?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-1-ethylazetidine is CCN1CC(OCC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-1-ethylazetidine?
The InChIKey is DUKGQXDUPDNUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-11-6-9(7-11)12-8-10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-1-ethylazetidine?
3-(2,2-dimethylpropoxy)-1-ethylazetidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-1-ethylazetidine is sourced from PubChem (CID 90140971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).