1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine

C15H31NO — CID 58371688

IUPAC1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine
SMILESCC(C)(C)CCN1CC(COCC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-14(2,3)7-8-16-9-13(10-16)11-17-12-15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyRSZLJNGSRUPJEN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.42
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine

1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine (PubChem CID 58371688) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine
PubChem CID58371688
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine
SMILESCC(C)(C)CCN1CC(COCC(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-14(2,3)7-8-16-9-13(10-16)11-17-12-15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyRSZLJNGSRUPJEN-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine (CID 58371688) is 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine is CC(C)(C)CCN1CC(COCC(C)(C)C)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The InChIKey is RSZLJNGSRUPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)7-8-16-9-13(10-16)11-17-12-15(4,5)6/h13H,7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine has a molecular weight of 241.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine is sourced from PubChem (CID 58371688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).