8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

C17H25N — CID 106779504

IUPAC8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CC(C)CC(c2cccc3c2CNCC3)C1
InChIInChI=1S/C17H25N/c1-12-8-13(2)10-15(9-12)16-5-3-4-14-6-7-18-11-17(14)16/h3-5,12-13,15,18H,6-11H2,1-2H3
InChIKeyOQEZCQJJPPVJJL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.87
Rot. Bonds1

About 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106779504) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106779504
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CC(C)CC(c2cccc3c2CNCC3)C1
InChIInChI=1S/C17H25N/c1-12-8-13(2)10-15(9-12)16-5-3-4-14-6-7-18-11-17(14)16/h3-5,12-13,15,18H,6-11H2,1-2H3
InChIKeyOQEZCQJJPPVJJL-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
8-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114491149
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779728
8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane
CID 153401770
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 23652290
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 58777938

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (CID 106779504) is 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is CC1CC(C)CC(c2cccc3c2CNCC3)C1.
What is the InChIKey of 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OQEZCQJJPPVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-8-13(2)10-15(9-12)16-5-3-4-14-6-7-18-11-17(14)16/h3-5,12-13,15,18H,6-11H2,1-2H3.
What are the key properties of 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.39 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106779504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).