1-tert-butyl-2-(methoxymethyl)azetidine

C9H19NO — CID 14509066

IUPAC1-tert-butyl-2-(methoxymethyl)azetidine
SMILESCOCC1CCN1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)10-6-5-8(10)7-11-4/h8H,5-7H2,1-4H3
InChIKeyJCTWGHLXMGISHS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About 1-tert-butyl-2-(methoxymethyl)azetidine

1-tert-butyl-2-(methoxymethyl)azetidine (PubChem CID 14509066) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-tert-butyl-2-(methoxymethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-2-(methoxymethyl)azetidine
PubChem CID14509066
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-tert-butyl-2-(methoxymethyl)azetidine
SMILESCOCC1CCN1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)10-6-5-8(10)7-11-4/h8H,5-7H2,1-4H3
InChIKeyJCTWGHLXMGISHS-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(methoxymethyl)azetidine?
The IUPAC name of 1-tert-butyl-2-(methoxymethyl)azetidine (CID 14509066) is 1-tert-butyl-2-(methoxymethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-2-(methoxymethyl)azetidine?
The canonical SMILES for 1-tert-butyl-2-(methoxymethyl)azetidine is COCC1CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(methoxymethyl)azetidine?
The InChIKey is JCTWGHLXMGISHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)10-6-5-8(10)7-11-4/h8H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-2-(methoxymethyl)azetidine?
1-tert-butyl-2-(methoxymethyl)azetidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(methoxymethyl)azetidine is sourced from PubChem (CID 14509066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).