6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline

C11H17N — CID 13272643

IUPAC6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCC1(C)C=CC2=NCCCC2C1
InChIInChI=1S/C11H17N/c1-11(2)6-5-10-9(8-11)4-3-7-12-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZWLUZXIGSLCMNH-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds

About 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline

6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 13272643) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID13272643
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCC1(C)C=CC2=NCCCC2C1
InChIInChI=1S/C11H17N/c1-11(2)6-5-10-9(8-11)4-3-7-12-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZWLUZXIGSLCMNH-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
2,2,3,4-tetramethyl-4,6-dihydro-3H-quinoline
CID 70443984

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 13272643) is 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline is CC1(C)C=CC2=NCCCC2C1.
What is the InChIKey of 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is ZWLUZXIGSLCMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2)6-5-10-9(8-11)4-3-7-12-10/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline?
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 163.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 13272643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).