4a,6-dimethyl-5H-quinoline;ethane

C13H19N — CID 142804433

IUPAC4a,6-dimethyl-5H-quinoline;ethane
SMILESCC.CC1=CC=C2N=CC=CC2(C)C1
InChIInChI=1S/C11H13N.C2H6/c1-9-4-5-10-11(2,8-9)6-3-7-12-10;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyXHSRBCSANFMIFY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.89
Rot. Bonds

About 4a,6-dimethyl-5H-quinoline;ethane

4a,6-dimethyl-5H-quinoline;ethane (PubChem CID 142804433) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4a,6-dimethyl-5H-quinoline;ethane.

Molecular Properties

Compound Name4a,6-dimethyl-5H-quinoline;ethane
PubChem CID142804433
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4a,6-dimethyl-5H-quinoline;ethane
SMILESCC.CC1=CC=C2N=CC=CC2(C)C1
InChIInChI=1S/C11H13N.C2H6/c1-9-4-5-10-11(2,8-9)6-3-7-12-10;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyXHSRBCSANFMIFY-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,6-dimethyl-5H-quinoline;ethane?
The IUPAC name of 4a,6-dimethyl-5H-quinoline;ethane (CID 142804433) is 4a,6-dimethyl-5H-quinoline;ethane.
What is the SMILES notation for 4a,6-dimethyl-5H-quinoline;ethane?
The canonical SMILES for 4a,6-dimethyl-5H-quinoline;ethane is CC.CC1=CC=C2N=CC=CC2(C)C1.
What is the InChIKey of 4a,6-dimethyl-5H-quinoline;ethane?
The InChIKey is XHSRBCSANFMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c1-9-4-5-10-11(2,8-9)6-3-7-12-10;1-2/h3-7H,8H2,1-2H3;1-2H3.
What are the key properties of 4a,6-dimethyl-5H-quinoline;ethane?
4a,6-dimethyl-5H-quinoline;ethane has a molecular weight of 189.30 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dimethyl-5H-quinoline;ethane is sourced from PubChem (CID 142804433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).