8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline

C17H25NO — CID 115075697

IUPAC8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCCC(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C17H25NO/c1-17(2)10-4-8-14(12-17)19-15-9-3-6-13-7-5-11-18-16(13)15/h3,6,9,14,18H,4-5,7-8,10-12H2,1-2H3
InChIKeyBUOVIQQEYCTPPN-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.39
Rot. Bonds2

About 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline

8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075697) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075697
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCCC(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C17H25NO/c1-17(2)10-4-8-14(12-17)19-15-9-3-6-13-7-5-11-18-16(13)15/h3,6,9,14,18H,4-5,7-8,10-12H2,1-2H3
InChIKeyBUOVIQQEYCTPPN-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
8-(4-ethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 64775069
7-cyclohexyloxy-2,3-dihydro-1H-indole
CID 115074855
7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075527
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
7-(1-methylpiperidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115075020
8-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075665
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225
7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074861
7-(1-ethylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074953
8-(1,3-dimethylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075729

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075697) is 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline is CC1(C)CCCC(Oc2cccc3c2NCCC3)C1.
What is the InChIKey of 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is BUOVIQQEYCTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)10-4-8-14(12-17)19-15-9-3-6-13-7-5-11-18-16(13)15/h3,6,9,14,18H,4-5,7-8,10-12H2,1-2H3.
What are the key properties of 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).