(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline

C11H15N — CID 42079847

IUPAC(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1NC[C@@H](C)C2
InChIInChI=1S/C11H15N/c1-8-6-10-5-3-4-9(2)11(10)12-7-8/h3-5,8,12H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyABSMMYREZSOMJM-QMMMGPOBSA-N
MW161.25 g/mol
LogP2.60
Rot. Bonds

About (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline

(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 42079847) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID42079847
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1NC[C@@H](C)C2
InChIInChI=1S/C11H15N/c1-8-6-10-5-3-4-9(2)11(10)12-7-8/h3-5,8,12H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyABSMMYREZSOMJM-QMMMGPOBSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3,8-dimethyl-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 (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline (CID 42079847) is (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline is Cc1cccc2c1NC[C@@H](C)C2.
What is the InChIKey of (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ABSMMYREZSOMJM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N/c1-8-6-10-5-3-4-9(2)11(10)12-7-8/h3-5,8,12H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline?
(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 42079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).