1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

C15H21N — CID 583453

IUPAC1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2C1CCCCC1
InChIInChI=1S/C15H21N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h4-6,9,13,15-16H,1-3,7-8,10-11H2
InChIKeyOMYOTQLWOQIIKW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.45
Rot. Bonds1

About 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 583453) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID583453
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2C1CCCCC1
InChIInChI=1S/C15H21N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h4-6,9,13,15-16H,1-3,7-8,10-11H2
InChIKeyOMYOTQLWOQIIKW-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dizocilpine
CID 180081
Fendiline
CID 3336
1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Fendiline Hydrochloride
CID 5702162
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
1-(1-Naphthylmethyl)piperazine
CID 701891
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
2-Benzylpiperidine
CID 118004
2-Diphenylmethylpiperidine
CID 160506

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline (CID 583453) is 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OMYOTQLWOQIIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h4-6,9,13,15-16H,1-3,7-8,10-11H2.
What are the key properties of 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline?
1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 215.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 583453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).