2,6-dimethyl-1,2,3,4-tetrahydroquinoline

C11H15N — CID 13094330

IUPAC2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C11H15N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyIHEQGRQCHGIUQE-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About 2,6-dimethyl-1,2,3,4-tetrahydroquinoline

2,6-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 13094330) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,6-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2,6-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID13094330
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C11H15N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyIHEQGRQCHGIUQE-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline (CID 13094330) is 2,6-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline is Cc1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IHEQGRQCHGIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3,6-7,9,12H,4-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
2,6-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 13094330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).