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

C11H22N2O — CID 131123551

IUPAC2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(CN)N1CC2CCC(O)CC2C1
InChIInChI=1S/C11H22N2O/c1-8(5-12)13-6-9-2-3-11(14)4-10(9)7-13/h8-11,14H,2-7,12H2,1H3
InChIKeySQPPJRFIXQICLM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.43
Rot. Bonds2

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

2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 131123551) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID131123551
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(CN)N1CC2CCC(O)CC2C1
InChIInChI=1S/C11H22N2O/c1-8(5-12)13-6-9-2-3-11(14)4-10(9)7-13/h8-11,14H,2-7,12H2,1H3
InChIKeySQPPJRFIXQICLM-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol with MolForge

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Related Compounds

Octahydro-1H-isoindol-5-OL
CID 53408677
octahydro-1H-isoindol-5-ol hydrochloride
CID 74890071
(3aR,7aS)-rel-Octahydro-1H-isoindol-5-ol
CID 118705044
(3AR,7aS)-octahydro-1H-isoindol-5-ol hydrochloride
CID 137705977
1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 140380381
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 140389096
(3aS,5S,6S,7aR)-6-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 156293117
(3aR,4S,5S,7aS)-4-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 156308744
(3aR,4S,5R,7aS)-4-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 156308747
(3aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 169179378
(3aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol;hydrochloride
CID 174619607
(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol;hydrochloride
CID 175508794

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 131123551) is 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CC(CN)N1CC2CCC(O)CC2C1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is SQPPJRFIXQICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(5-12)13-6-9-2-3-11(14)4-10(9)7-13/h8-11,14H,2-7,12H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 198.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 131123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).