5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

C17H25N — CID 106779728

IUPAC5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCC(c2cccc3c2CCNC3)C1
InChIInChI=1S/C17H25N/c1-2-13-5-3-6-14(11-13)16-8-4-7-15-12-18-10-9-17(15)16/h4,7-8,13-14,18H,2-3,5-6,9-12H2,1H3
InChIKeyDMYXTKAVQZMSKB-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.02
Rot. Bonds2

About 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106779728) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106779728
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCC(c2cccc3c2CCNC3)C1
InChIInChI=1S/C17H25N/c1-2-13-5-3-6-14(11-13)16-8-4-7-15-12-18-10-9-17(15)16/h4,7-8,13-14,18H,2-3,5-6,9-12H2,1H3
InChIKeyDMYXTKAVQZMSKB-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779712
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502
2-(3-ethylcyclohexyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482863
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192043
(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558943
1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 61454005
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779504
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65413627
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (CID 106779728) is 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is CCC1CCCC(c2cccc3c2CCNC3)C1.
What is the InChIKey of 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DMYXTKAVQZMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-13-5-3-6-14(11-13)16-8-4-7-15-12-18-10-9-17(15)16/h4,7-8,13-14,18H,2-3,5-6,9-12H2,1H3.
What are the key properties of 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106779728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).