(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline

C10H17N — CID 130182236

IUPAC(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline
SMILESC[C@@H]1CCCC2CCNC=C21
InChIInChI=1S/C10H17N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h7-9,11H,2-6H2,1H3/t8-,9?/m1/s1
InChIKeyPPCCDFLTTRFNES-VEDVMXKPSA-N
MW151.25 g/mol
LogP2.30
Rot. Bonds

About (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline

(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline (PubChem CID 130182236) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline.

Molecular Properties

Compound Name(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline
PubChem CID130182236
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline
SMILESC[C@@H]1CCCC2CCNC=C21
InChIInChI=1S/C10H17N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h7-9,11H,2-6H2,1H3/t8-,9?/m1/s1
InChIKeyPPCCDFLTTRFNES-VEDVMXKPSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline?
The IUPAC name of (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline (CID 130182236) is (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline.
What is the SMILES notation for (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline?
The canonical SMILES for (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline is C[C@@H]1CCCC2CCNC=C21.
What is the InChIKey of (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline?
The InChIKey is PPCCDFLTTRFNES-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h7-9,11H,2-6H2,1H3/t8-,9?/m1/s1.
What are the key properties of (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline?
(8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline has a molecular weight of 151.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline is sourced from PubChem (CID 130182236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).