2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol

C12H23NO — CID 73171590

IUPAC2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol
SMILESCN1CC2CCCCC2C1C(C)(C)O
InChIInChI=1S/C12H23NO/c1-12(2,14)11-10-7-5-4-6-9(10)8-13(11)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYHFWBPQJUVUIDU-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol

2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol (PubChem CID 73171590) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol
PubChem CID73171590
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol
SMILESCN1CC2CCCCC2C1C(C)(C)O
InChIInChI=1S/C12H23NO/c1-12(2,14)11-10-7-5-4-6-9(10)8-13(11)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYHFWBPQJUVUIDU-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 10103850
1-(1-Methylpyrrolidin-2-yl)cyclohexan-1-ol
CID 15758089
1-[(2S)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 134976082
[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol
CID 170054094
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
1-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]cyclohexan-1-ol
CID 11991876
2-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]propan-2-ol
CID 11991877
1-Cyclopropyl-3-(2-ethylcyclohexyl)pyrrolidin-3-ol
CID 55251476
3-Cyclohexyl-1-methylpyrrolidin-3-ol
CID 62976346

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol?
The IUPAC name of 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol (CID 73171590) is 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol is CN1CC2CCCCC2C1C(C)(C)O.
What is the InChIKey of 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol?
The InChIKey is YHFWBPQJUVUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14)11-10-7-5-4-6-9(10)8-13(11)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol?
2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol is sourced from PubChem (CID 73171590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).