2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline

C13H17N — CID 70364603

IUPAC2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline
SMILESC=CCC1CCC=C2C=CC(C)=NC21
InChIInChI=1S/C13H17N/c1-3-5-11-6-4-7-12-9-8-10(2)14-13(11)12/h3,7-9,11,13H,1,4-6H2,2H3
InChIKeyHUHCCLSJMFVSFS-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.30
Rot. Bonds2

About 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline

2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline (PubChem CID 70364603) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline
PubChem CID70364603
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline
SMILESC=CCC1CCC=C2C=CC(C)=NC21
InChIInChI=1S/C13H17N/c1-3-5-11-6-4-7-12-9-8-10(2)14-13(11)12/h3,7-9,11,13H,1,4-6H2,2H3
InChIKeyHUHCCLSJMFVSFS-UHFFFAOYSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-8-prop-2-enyl-6,7,8,8a-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-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline (CID 70364603) is 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline is C=CCC1CCC=C2C=CC(C)=NC21.
What is the InChIKey of 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline?
The InChIKey is HUHCCLSJMFVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-5-11-6-4-7-12-9-8-10(2)14-13(11)12/h3,7-9,11,13H,1,4-6H2,2H3.
What are the key properties of 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline?
2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-prop-2-enyl-6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 70364603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).