1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine

C14H28N2O — CID 142769040

IUPAC1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine
SMILESCC(C)(C)N1CC(OC2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2O/c1-13(2,3)15-7-11(8-15)17-12-9-16(10-12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyPAIGGBPFHSUTFO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds2

About 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine

1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine (PubChem CID 142769040) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine
PubChem CID142769040
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine
SMILESCC(C)(C)N1CC(OC2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2O/c1-13(2,3)15-7-11(8-15)17-12-9-16(10-12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyPAIGGBPFHSUTFO-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-Tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 126547341
3-(Ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine
CID 134502385
1-[1-(1-Tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine
CID 155316710
1-Tert-butyl-3-(2-fluoroethoxy)azetidine
CID 155452195
1-Tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
CID 167292326
3-Fluoro-1-[1-(1-propan-2-ylazetidin-3-yl)oxypropan-2-yl]azetidine
CID 169637956
1-Tert-butyl-3-methoxyazetidine
CID 288947
1-Tert-butyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 20517357
1-Tert-butyl-3-(2-methylbutan-2-yloxy)azetidine
CID 20517375
1-(2-Methylbutan-2-yl)-3-(2-methylbutan-2-yloxy)azetidine
CID 20517385
CID 58998168
CID 58998168
3-Methoxy-1-(1-methylazetidin-3-yl)azetidine
CID 59155033

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine?
The IUPAC name of 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine (CID 142769040) is 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine.
What is the SMILES notation for 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine?
The canonical SMILES for 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine is CC(C)(C)N1CC(OC2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine?
The InChIKey is PAIGGBPFHSUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)15-7-11(8-15)17-12-9-16(10-12)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine?
1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine has a molecular weight of 240.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine is sourced from PubChem (CID 142769040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).