2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline

C10H15N — CID 68536267

IUPAC2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
SMILESCN1CCC2CC=CC=C2C1
InChIInChI=1S/C10H15N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyHWYSEHXFINJBBF-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.82
Rot. Bonds

About 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline

2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline (PubChem CID 68536267) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
PubChem CID68536267
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
SMILESCN1CCC2CC=CC=C2C1
InChIInChI=1S/C10H15N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyHWYSEHXFINJBBF-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline?
The IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline (CID 68536267) is 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline is CN1CCC2CC=CC=C2C1.
What is the InChIKey of 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline?
The InChIKey is HWYSEHXFINJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline?
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline has a molecular weight of 149.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 68536267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).