2-tert-butyl-1-(oxan-4-ylmethyl)azetidine

C13H25NO — CID 67953040

IUPAC2-tert-butyl-1-(oxan-4-ylmethyl)azetidine
SMILESCC(C)(C)C1CCN1CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12-4-7-14(12)10-11-5-8-15-9-6-11/h11-12H,4-10H2,1-3H3
InChIKeyDLYBLNRDQXOZPX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds2

About 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine

2-tert-butyl-1-(oxan-4-ylmethyl)azetidine (PubChem CID 67953040) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine.

Molecular Properties

Compound Name2-tert-butyl-1-(oxan-4-ylmethyl)azetidine
PubChem CID67953040
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-tert-butyl-1-(oxan-4-ylmethyl)azetidine
SMILESCC(C)(C)C1CCN1CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12-4-7-14(12)10-11-5-8-15-9-6-11/h11-12H,4-10H2,1-3H3
InChIKeyDLYBLNRDQXOZPX-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine?
The IUPAC name of 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine (CID 67953040) is 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine.
What is the SMILES notation for 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine?
The canonical SMILES for 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine is CC(C)(C)C1CCN1CC1CCOCC1.
What is the InChIKey of 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine?
The InChIKey is DLYBLNRDQXOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12-4-7-14(12)10-11-5-8-15-9-6-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine?
2-tert-butyl-1-(oxan-4-ylmethyl)azetidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(oxan-4-ylmethyl)azetidine is sourced from PubChem (CID 67953040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).