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

C16H23NO — CID 115075643

IUPAC8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H23NO/c1-16(2)9-8-13(11-16)18-14-7-3-5-12-6-4-10-17-15(12)14/h3,5,7,13,17H,4,6,8-11H2,1-2H3
InChIKeyKHVORYBENAXFOX-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.00
Rot. Bonds2

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

8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075643) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075643
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCC(Oc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H23NO/c1-16(2)9-8-13(11-16)18-14-7-3-5-12-6-4-10-17-15(12)14/h3,5,7,13,17H,4,6,8-11H2,1-2H3
InChIKeyKHVORYBENAXFOX-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075697
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
8-(4-ethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 64775069
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
7-cyclohexyloxy-2,3-dihydro-1H-indole
CID 115074855
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-(1-methylpiperidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115075020
7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075527
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-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075643) is 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline is CC1(C)CCC(Oc2cccc3c2NCCC3)C1.
What is the InChIKey of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is KHVORYBENAXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)9-8-13(11-16)18-14-7-3-5-12-6-4-10-17-15(12)14/h3,5,7,13,17H,4,6,8-11H2,1-2H3.
What are the key properties of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline?
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).