(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane

C12H23FN2 — CID 159621898

IUPAC(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(F)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C12H23FN2/c1-9(13)6-14-7-11-5-10(14)8-15(11)12(2,3)4/h9-11H,5-8H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyDNDZMYRWCSCADO-FHZGLPGMSA-N
MW214.33 g/mol
LogP1.90
Rot. Bonds2

About (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 159621898) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID159621898
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(F)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C12H23FN2/c1-9(13)6-14-7-11-5-10(14)8-15(11)12(2,3)4/h9-11H,5-8H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyDNDZMYRWCSCADO-FHZGLPGMSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane (CID 159621898) is (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane is CC(F)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C.
What is the InChIKey of (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is DNDZMYRWCSCADO-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9(13)6-14-7-11-5-10(14)8-15(11)12(2,3)4/h9-11H,5-8H2,1-4H3/t9?,10-,11-/m1/s1.
What are the key properties of (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 214.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-tert-butyl-5-(2-fluoropropyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 159621898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).