2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline

C15H23N — CID 105379469

IUPAC2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C15H23N/c1-11(2)4-6-13-7-9-15-14(10-13)8-5-12(3)16-15/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyGAORWORTEFXCAZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105379469) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105379469
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C15H23N/c1-11(2)4-6-13-7-9-15-14(10-13)8-5-12(3)16-15/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyGAORWORTEFXCAZ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline 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 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline (CID 105379469) is 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline is CC(C)CCc1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GAORWORTEFXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)4-6-13-7-9-15-14(10-13)8-5-12(3)16-15/h7,9-12,16H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105379469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).