(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone

C14H24FN3O — CID 137444333

IUPAC(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC(C)(C)N1CC2CCC(C1)N2C(=O)N1CC(F)C1
InChIInChI=1S/C14H24FN3O/c1-14(2,3)17-8-11-4-5-12(9-17)18(11)13(19)16-6-10(15)7-16/h10-12H,4-9H2,1-3H3
InChIKeyZKVAKRIRYVOJAU-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.71
Rot. Bonds

About (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone

(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 137444333) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID137444333
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC(C)(C)N1CC2CCC(C1)N2C(=O)N1CC(F)C1
InChIInChI=1S/C14H24FN3O/c1-14(2,3)17-8-11-4-5-12(9-17)18(11)13(19)16-6-10(15)7-16/h10-12H,4-9H2,1-3H3
InChIKeyZKVAKRIRYVOJAU-UHFFFAOYSA-N
XLogP1.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone (CID 137444333) is (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone is CC(C)(C)N1CC2CCC(C1)N2C(=O)N1CC(F)C1.
What is the InChIKey of (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is ZKVAKRIRYVOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-14(2,3)17-8-11-4-5-12(9-17)18(11)13(19)16-6-10(15)7-16/h10-12H,4-9H2,1-3H3.
What are the key properties of (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone?
(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 269.36 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 137444333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).