(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol

C10H19NO — CID 130920583

IUPAC(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
SMILESCN1CC[C@H]2CCCC(O)[C@@H]2C1
InChIInChI=1S/C10H19NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyHYQQIRWUNKTWHD-MGRQHWMJSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds

About (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol

(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol (PubChem CID 130920583) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
PubChem CID130920583
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
SMILESCN1CC[C@H]2CCCC(O)[C@@H]2C1
InChIInChI=1S/C10H19NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyHYQQIRWUNKTWHD-MGRQHWMJSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol with MolForge

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Related Compounds

(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
CID 102523493
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
CID 168995573
[(4aR,8R,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl] 4-chlorobenzoate
CID 90679033
N-[(4aR,8R,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
CID 90679027
(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 142824086
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
(3R,4R)-1,3-dimethylazepan-4-ol
CID 54116719
4-methoxy-N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl)benzamide
CID 23620928

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol?
The IUPAC name of (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol (CID 130920583) is (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol.
What is the SMILES notation for (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol?
The canonical SMILES for (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol is CN1CC[C@H]2CCCC(O)[C@@H]2C1.
What is the InChIKey of (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol?
The InChIKey is HYQQIRWUNKTWHD-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol?
(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 130920583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).