7,7-dimethyl-8,8a-dihydro-6H-quinoline

C11H15N — CID 57147836

IUPAC7,7-dimethyl-8,8a-dihydro-6H-quinoline
SMILESCC1(C)CC=C2C=CC=NC2C1
InChIInChI=1S/C11H15N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h3-5,7,10H,6,8H2,1-2H3
InChIKeyPMZANDALKMBGEG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About 7,7-dimethyl-8,8a-dihydro-6H-quinoline

7,7-dimethyl-8,8a-dihydro-6H-quinoline (PubChem CID 57147836) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 7,7-dimethyl-8,8a-dihydro-6H-quinoline.

Molecular Properties

Compound Name7,7-dimethyl-8,8a-dihydro-6H-quinoline
PubChem CID57147836
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name7,7-dimethyl-8,8a-dihydro-6H-quinoline
SMILESCC1(C)CC=C2C=CC=NC2C1
InChIInChI=1S/C11H15N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h3-5,7,10H,6,8H2,1-2H3
InChIKeyPMZANDALKMBGEG-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
6,7,8,8a-Tetrahydroquinoline
CID 57281165
7,8-Dimethyl-4a,5,6,8a-tetrahydroquinoline
CID 57614234
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241
4-Methyl-4a,8a-dihydroquinoline
CID 67593927
(8aS)-4-methyl-4a,8a-dihydroquinoline
CID 67599998

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8,8a-dihydro-6H-quinoline?
The IUPAC name of 7,7-dimethyl-8,8a-dihydro-6H-quinoline (CID 57147836) is 7,7-dimethyl-8,8a-dihydro-6H-quinoline.
What is the SMILES notation for 7,7-dimethyl-8,8a-dihydro-6H-quinoline?
The canonical SMILES for 7,7-dimethyl-8,8a-dihydro-6H-quinoline is CC1(C)CC=C2C=CC=NC2C1.
What is the InChIKey of 7,7-dimethyl-8,8a-dihydro-6H-quinoline?
The InChIKey is PMZANDALKMBGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h3-5,7,10H,6,8H2,1-2H3.
What are the key properties of 7,7-dimethyl-8,8a-dihydro-6H-quinoline?
7,7-dimethyl-8,8a-dihydro-6H-quinoline has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-8,8a-dihydro-6H-quinoline is sourced from PubChem (CID 57147836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).