(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane

C13H24FN — CID 176631933

IUPAC(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CCCF)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C13H24FN/c1-10-8-13(6-5-7-14)9-11(13)15(10)12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11-,13+/m1/s1
InChIKeyUETJCIMDLGWWED-WZRBSPASSA-N
MW213.34 g/mol
LogP3.39
Rot. Bonds3

About (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane

(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 176631933) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID176631933
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CCCF)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C13H24FN/c1-10-8-13(6-5-7-14)9-11(13)15(10)12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11-,13+/m1/s1
InChIKeyUETJCIMDLGWWED-WZRBSPASSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane 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,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane (CID 176631933) is (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane is C[C@@H]1C[C@@]2(CCCF)C[C@H]2N1C(C)(C)C.
What is the InChIKey of (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is UETJCIMDLGWWED-WZRBSPASSA-N. The full InChI is InChI=1S/C13H24FN/c1-10-8-13(6-5-7-14)9-11(13)15(10)12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11-,13+/m1/s1.
What are the key properties of (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
(1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 213.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-2-tert-butyl-5-(3-fluoropropyl)-3-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 176631933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).