7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline

C11H17N — CID 57030181

IUPAC7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
SMILESCC1(C)C=CC2CCCN=C2C1
InChIInChI=1S/C11H17N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZRWOOTDXTUIWDC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds

About 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline

7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline (PubChem CID 57030181) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
PubChem CID57030181
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
SMILESCC1(C)C=CC2CCCN=C2C1
InChIInChI=1S/C11H17N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZRWOOTDXTUIWDC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
(4aS,7S)-4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-quinoline
CID 45112377
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(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
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline?
The IUPAC name of 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline (CID 57030181) is 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline.
What is the SMILES notation for 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline?
The canonical SMILES for 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline is CC1(C)C=CC2CCCN=C2C1.
What is the InChIKey of 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline?
The InChIKey is ZRWOOTDXTUIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2)6-5-9-4-3-7-12-10(9)8-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline?
7,7-dimethyl-3,4,4a,8-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 7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline is sourced from PubChem (CID 57030181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).