1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol

C15H27NO — CID 11991876

IUPAC1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol
SMILESCN1C[C@@H]2CCCC[C@H]2[C@@H]1C1(O)CCCCC1
InChIInChI=1S/C15H27NO/c1-16-11-12-7-3-4-8-13(12)14(16)15(17)9-5-2-6-10-15/h12-14,17H,2-11H2,1H3/t12-,13+,14+/m0/s1
InChIKeyLWLRQAIHOLHDBY-BFHYXJOUSA-N
MW237.39 g/mol
LogP2.80
Rot. Bonds1

About 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol

1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol (PubChem CID 11991876) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol
PubChem CID11991876
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol
SMILESCN1C[C@@H]2CCCC[C@H]2[C@@H]1C1(O)CCCCC1
InChIInChI=1S/C15H27NO/c1-16-11-12-7-3-4-8-13(12)14(16)15(17)9-5-2-6-10-15/h12-14,17H,2-11H2,1H3/t12-,13+,14+/m0/s1
InChIKeyLWLRQAIHOLHDBY-BFHYXJOUSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
2-(2-Methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol
CID 73171590
2-(3-Butyl-4-methyl-1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 177955193
Potassium 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-id-1-yl)propan-2-ol
CID 177955249
[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol
CID 11991875
2-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]propan-2-ol
CID 11991877
3-Cyclohexyl-1,5-dimethylpyrrolidin-3-ol
CID 81468131
3-(2-Ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468229
7-(3-methylcyclohexyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611215
7-(2-ethylcyclohexyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81612199
1-(2-ethylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886328
1-(4-ethylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886391

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol (CID 11991876) is 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol is CN1C[C@@H]2CCCC[C@H]2[C@@H]1C1(O)CCCCC1.
What is the InChIKey of 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol?
The InChIKey is LWLRQAIHOLHDBY-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H27NO/c1-16-11-12-7-3-4-8-13(12)14(16)15(17)9-5-2-6-10-15/h12-14,17H,2-11H2,1H3/t12-,13+,14+/m0/s1.
What are the key properties of 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol?
1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 11991876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).