(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane

C12H16N2O — CID 125486369

IUPAC(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
SMILESCN1[C@H](COc2cccnc2)C[C@H]2C[C@H]21
InChIInChI=1S/C12H16N2O/c1-14-10(5-9-6-12(9)14)8-15-11-3-2-4-13-7-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12+/m0/s1
InChIKeyZHQDDVCHGDJTCT-JBLDHEPKSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds3

About (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane

(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 125486369) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
PubChem CID125486369
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
SMILESCN1[C@H](COc2cccnc2)C[C@H]2C[C@H]21
InChIInChI=1S/C12H16N2O/c1-14-10(5-9-6-12(9)14)8-15-11-3-2-4-13-7-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12+/m0/s1
InChIKeyZHQDDVCHGDJTCT-JBLDHEPKSA-N
XLogP1.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-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

Related Compounds

Pozanicline
CID 178052
Dianicline
CID 10176764
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylethynyl-pyridine
CID 10039999
3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10083372
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10263121
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
(R)-3-(Pyrrolidin-2-ylmethoxy)pyridine
CID 10702468

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane (CID 125486369) is (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane is CN1[C@H](COc2cccnc2)C[C@H]2C[C@H]21.
What is the InChIKey of (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is ZHQDDVCHGDJTCT-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-10(5-9-6-12(9)14)8-15-11-3-2-4-13-7-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12+/m0/s1.
What are the key properties of (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 204.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 125486369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).