1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine

C13H25NO — CID 171611844

IUPAC1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
SMILESCC(C)(C)OCC1(CN2CCC2)CCC1
InChIInChI=1S/C13H25NO/c1-12(2,3)15-11-13(6-4-7-13)10-14-8-5-9-14/h4-11H2,1-3H3
InChIKeyQQGSGXQXZLPDCV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds4

About 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine (PubChem CID 171611844) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
PubChem CID171611844
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
SMILESCC(C)(C)OCC1(CN2CCC2)CCC1
InChIInChI=1S/C13H25NO/c1-12(2,3)15-11-13(6-4-7-13)10-14-8-5-9-14/h4-11H2,1-3H3
InChIKeyQQGSGXQXZLPDCV-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine (CID 171611844) is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine is CC(C)(C)OCC1(CN2CCC2)CCC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine?
The InChIKey is QQGSGXQXZLPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)15-11-13(6-4-7-13)10-14-8-5-9-14/h4-11H2,1-3H3.
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine?
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine has a molecular weight of 211.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine is sourced from PubChem (CID 171611844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).