1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine

C16H31FN2 — CID 126684491

IUPAC1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine
SMILESCC(C)(C)CN1CC(CC(C)(C)CN2CC(F)C2)C1
InChIInChI=1S/C16H31FN2/c1-15(2,3)11-18-7-13(8-18)6-16(4,5)12-19-9-14(17)10-19/h13-14H,6-12H2,1-5H3
InChIKeyXTAGVHSABFCSES-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.03
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine

1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine (PubChem CID 126684491) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine
PubChem CID126684491
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine
SMILESCC(C)(C)CN1CC(CC(C)(C)CN2CC(F)C2)C1
InChIInChI=1S/C16H31FN2/c1-15(2,3)11-18-7-13(8-18)6-16(4,5)12-19-9-14(17)10-19/h13-14H,6-12H2,1-5H3
InChIKeyXTAGVHSABFCSES-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine (CID 126684491) is 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine is CC(C)(C)CN1CC(CC(C)(C)CN2CC(F)C2)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine?
The InChIKey is XTAGVHSABFCSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-15(2,3)11-18-7-13(8-18)6-16(4,5)12-19-9-14(17)10-19/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine?
1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine has a molecular weight of 270.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine is sourced from PubChem (CID 126684491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).