2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H27NO2 — CID 103137662

IUPAC2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCC1CCC(CN2CCC3(O)CCCCC3C2)O1
InChIInChI=1S/C15H27NO2/c1-12-5-6-14(18-12)11-16-9-8-15(17)7-3-2-4-13(15)10-16/h12-14,17H,2-11H2,1H3
InChIKeyCBJTZVXCZRWSIO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.18
Rot. Bonds2

About 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 103137662) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID103137662
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCC1CCC(CN2CCC3(O)CCCCC3C2)O1
InChIInChI=1S/C15H27NO2/c1-12-5-6-14(18-12)11-16-9-8-15(17)7-3-2-4-13(15)10-16/h12-14,17H,2-11H2,1H3
InChIKeyCBJTZVXCZRWSIO-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

4-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidin-4-ol
CID 103137665
2-[(2-hydroxycycloheptyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81116411
2-(2-piperidin-1-ylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286638
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107504
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
2-(2,2,2-trifluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286627
2-octyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115421
2-[[4-(sulfanylmethyl)oxan-4-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81116031
2-[(2,4,6-trimethylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107935
2-(3-ethoxy-2-hydroxypropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103665
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 103137662) is 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is CC1CCC(CN2CCC3(O)CCCCC3C2)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is CBJTZVXCZRWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-5-6-14(18-12)11-16-9-8-15(17)7-3-2-4-13(15)10-16/h12-14,17H,2-11H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 253.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 103137662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).