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

C20H38N2 — CID 161440025

IUPAC(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2C[C@H]2CN1C(C)(C)C
InChIInChI=1S/2C10H19N/c2*1-7-9-5-8(9)6-11(7)10(2,3)4/h2*7-9H,5-6H2,1-4H3/t7-,8+,9-;7-,8-,9+/m11/s1
InChIKeyVZDLSVBBIOKAPB-RMEBNXEWSA-N
MW306.54 g/mol
LogP4.25
Rot. Bonds

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

(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 161440025) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID161440025
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2C[C@H]2CN1C(C)(C)C
InChIInChI=1S/2C10H19N/c2*1-7-9-5-8(9)6-11(7)10(2,3)4/h2*7-9H,5-6H2,1-4H3/t7-,8+,9-;7-,8-,9+/m11/s1
InChIKeyVZDLSVBBIOKAPB-RMEBNXEWSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-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,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane (CID 161440025) is (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane is C[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2C[C@H]2CN1C(C)(C)C.
What is the InChIKey of (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is VZDLSVBBIOKAPB-RMEBNXEWSA-N. The full InChI is InChI=1S/2C10H19N/c2*1-7-9-5-8(9)6-11(7)10(2,3)4/h2*7-9H,5-6H2,1-4H3/t7-,8+,9-;7-,8-,9+/m11/s1.
What are the key properties of (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane?
(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 306.54 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1S,2R,5R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 161440025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).