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

C12H16N2O — CID 125486372

IUPAC(1S,3S,5S)-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+/m1/s1
InChIKeyZHQDDVCHGDJTCT-SCVCMEIPSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds3

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

(1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 125486372) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
PubChem CID125486372
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1S,3S,5S)-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+/m1/s1
InChIKeyZHQDDVCHGDJTCT-SCVCMEIPSA-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 (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54319796
(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 18391712
3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 67585202
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
3-[[(2R)-1-methyl-3-phenylpyrrolidin-2-yl]methoxy]pyridine
CID 169279292
tert-butyl 3-(pyridin-3-yloxymethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 59671614
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
1-methyl-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11647018
3-[[(2S)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]pyridine
CID 166917917
(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 67586871

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane (CID 125486372) is (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,3S,5S)-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 (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is ZHQDDVCHGDJTCT-SCVCMEIPSA-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+/m1/s1.
What are the key properties of (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane?
(1S,3S,5S)-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 (1S,3S,5S)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 125486372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).