3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline

C10H15N — CID 167302750

IUPAC3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline
SMILESCC1=NCC2CCCCC2=C1
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h6,10H,2-5,7H2,1H3
InChIKeyYLLTZPMLROOHMQ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline

3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline (PubChem CID 167302750) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline
PubChem CID167302750
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline
SMILESCC1=NCC2CCCCC2=C1
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h6,10H,2-5,7H2,1H3
InChIKeyYLLTZPMLROOHMQ-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline?
The IUPAC name of 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline (CID 167302750) is 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline.
What is the SMILES notation for 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline?
The canonical SMILES for 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline is CC1=NCC2CCCCC2=C1.
What is the InChIKey of 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline?
The InChIKey is YLLTZPMLROOHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h6,10H,2-5,7H2,1H3.
What are the key properties of 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline?
3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5,6,7,8,8a-hexahydroisoquinoline is sourced from PubChem (CID 167302750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).