7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline

C17H25NO — CID 115075527

IUPAC7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCCC(Oc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C17H25NO/c1-17(2)9-3-6-15(12-17)19-14-8-7-13-5-4-10-18-16(13)11-14/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3
InChIKeyYMGFLXKZLYHDFZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.39
Rot. Bonds2

About 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline

7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075527) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075527
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCCC(Oc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C17H25NO/c1-17(2)9-3-6-15(12-17)19-14-8-7-13-5-4-10-18-16(13)11-14/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3
InChIKeyYMGFLXKZLYHDFZ-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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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075527) is 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline is CC1(C)CCCC(Oc2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is YMGFLXKZLYHDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)9-3-6-15(12-17)19-14-8-7-13-5-4-10-18-16(13)11-14/h7-8,11,15,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline?
7-(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 7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).