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

C12H23NO — CID 67953039

IUPAC2-tert-butyl-1-(oxan-4-yl)azetidine
SMILESCC(C)(C)C1CCN1C1CCOCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11-4-7-13(11)10-5-8-14-9-6-10/h10-11H,4-9H2,1-3H3
InChIKeyBOGJQODNGZTNLV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

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

2-tert-butyl-1-(oxan-4-yl)azetidine (PubChem CID 67953039) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-tert-butyl-1-(oxan-4-yl)azetidine.

Molecular Properties

Compound Name2-tert-butyl-1-(oxan-4-yl)azetidine
PubChem CID67953039
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-tert-butyl-1-(oxan-4-yl)azetidine
SMILESCC(C)(C)C1CCN1C1CCOCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11-4-7-13(11)10-5-8-14-9-6-10/h10-11H,4-9H2,1-3H3
InChIKeyBOGJQODNGZTNLV-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxan-4-yl)-3-propan-2-ylazetidine
CID 58054331
2-Tert-butyl-1-(oxan-4-ylmethyl)azetidine
CID 67953040
2-Tert-butyl-1-(oxan-4-yl)pyrrolidine
CID 67953179
2-Ethyl-1-(oxan-4-ylmethyl)azetidine
CID 67953689
2-Ethyl-1-(oxan-4-yl)azetidine
CID 67953715
3-Methyl-1-(oxan-4-yl)azetidine
CID 68044456
N-methyl-N-(4-methylpentyl)oxan-4-amine
CID 68170480
N-ethyl-N-(4-methylpentyl)oxan-4-amine
CID 68170482
2,2,3,3-Tetramethyl-1-(oxan-4-yl)azetidine
CID 68318067
2-Methyl-6-oxa-2-azaspiro[3.5]nonane
CID 82418040
1-(Oxan-4-yl)-2-propan-2-ylazetidine
CID 89001202
1-(Oxan-4-ylmethyl)-2-propan-2-ylazetidine
CID 89001203

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(oxan-4-yl)azetidine?
The IUPAC name of 2-tert-butyl-1-(oxan-4-yl)azetidine (CID 67953039) is 2-tert-butyl-1-(oxan-4-yl)azetidine.
What is the SMILES notation for 2-tert-butyl-1-(oxan-4-yl)azetidine?
The canonical SMILES for 2-tert-butyl-1-(oxan-4-yl)azetidine is CC(C)(C)C1CCN1C1CCOCC1.
What is the InChIKey of 2-tert-butyl-1-(oxan-4-yl)azetidine?
The InChIKey is BOGJQODNGZTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11-4-7-13(11)10-5-8-14-9-6-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(oxan-4-yl)azetidine?
2-tert-butyl-1-(oxan-4-yl)azetidine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 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-yl)azetidine is sourced from PubChem (CID 67953039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).