4,4-dimethyl-2,3-dihydro-1H-quinoline

C11H15N — CID 13219441

IUPAC4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccccc21
InChIInChI=1S/C11H15N/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3
InChIKeyWDLBKPHWHMIYNG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.78
Rot. Bonds

About 4,4-dimethyl-2,3-dihydro-1H-quinoline

4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 13219441) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID13219441
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccccc21
InChIInChI=1S/C11H15N/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3
InChIKeyWDLBKPHWHMIYNG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 13219441) is 4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2ccccc21.
What is the InChIKey of 4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is WDLBKPHWHMIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydro-1H-quinoline?
4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 161.25 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 13219441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).