5,8-dimethyl-4a,5,6,7-tetrahydroquinoline

C11H15N — CID 89495214

IUPAC5,8-dimethyl-4a,5,6,7-tetrahydroquinoline
SMILESCC1=C2N=CC=CC2C(C)CC1
InChIInChI=1S/C11H15N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLSZNJSMBVMDEEA-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.95
Rot. Bonds

About 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline

5,8-dimethyl-4a,5,6,7-tetrahydroquinoline (PubChem CID 89495214) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline.

Molecular Properties

Compound Name5,8-dimethyl-4a,5,6,7-tetrahydroquinoline
PubChem CID89495214
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5,8-dimethyl-4a,5,6,7-tetrahydroquinoline
SMILESCC1=C2N=CC=CC2C(C)CC1
InChIInChI=1S/C11H15N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLSZNJSMBVMDEEA-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline?
The IUPAC name of 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline (CID 89495214) is 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline.
What is the SMILES notation for 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline?
The canonical SMILES for 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline is CC1=C2N=CC=CC2C(C)CC1.
What is the InChIKey of 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline?
The InChIKey is LSZNJSMBVMDEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline?
5,8-dimethyl-4a,5,6,7-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4a,5,6,7-tetrahydroquinoline is sourced from PubChem (CID 89495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).