4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline

C11H19N — CID 15555488

IUPAC4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline
SMILESCC1CCCC2(C)CCCN=C12
InChIInChI=1S/C11H19N/c1-9-5-3-6-11(2)7-4-8-12-10(9)11/h9H,3-8H2,1-2H3
InChIKeyRTSILPVFLDHOCY-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.05
Rot. Bonds

About 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline

4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline (PubChem CID 15555488) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline.

Molecular Properties

Compound Name4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline
PubChem CID15555488
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline
SMILESCC1CCCC2(C)CCCN=C12
InChIInChI=1S/C11H19N/c1-9-5-3-6-11(2)7-4-8-12-10(9)11/h9H,3-8H2,1-2H3
InChIKeyRTSILPVFLDHOCY-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline?
The IUPAC name of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline (CID 15555488) is 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline.
What is the SMILES notation for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline?
The canonical SMILES for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline is CC1CCCC2(C)CCCN=C12.
What is the InChIKey of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline?
The InChIKey is RTSILPVFLDHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-3-6-11(2)7-4-8-12-10(9)11/h9H,3-8H2,1-2H3.
What are the key properties of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline?
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline has a molecular weight of 165.28 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-quinoline is sourced from PubChem (CID 15555488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).