6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline

C17H27N — CID 166139723

IUPAC6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCCC(CC1CCc2c(ccnc2C)C1)C(C)C
InChIInChI=1S/C17H27N/c1-5-15(12(2)3)10-14-6-7-17-13(4)18-9-8-16(17)11-14/h8-9,12,14-15H,5-7,10-11H2,1-4H3
InChIKeyFGIHNSFWYBGLNE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.57
Rot. Bonds4

About 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline

6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 166139723) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline
PubChem CID166139723
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCCC(CC1CCc2c(ccnc2C)C1)C(C)C
InChIInChI=1S/C17H27N/c1-5-15(12(2)3)10-14-6-7-17-13(4)18-9-8-16(17)11-14/h8-9,12,14-15H,5-7,10-11H2,1-4H3
InChIKeyFGIHNSFWYBGLNE-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline (CID 166139723) is 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline is CCC(CC1CCc2c(ccnc2C)C1)C(C)C.
What is the InChIKey of 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is FGIHNSFWYBGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-15(12(2)3)10-14-6-7-17-13(4)18-9-8-16(17)11-14/h8-9,12,14-15H,5-7,10-11H2,1-4H3.
What are the key properties of 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline?
6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 166139723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).