4-cyclohexyl-1,2-dihydroisoquinoline

C15H19N — CID 134913525

IUPAC4-cyclohexyl-1,2-dihydroisoquinoline
SMILESC1=C(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C15H19N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,1-3,6-7,10H2
InChIKeyKGEFXRTVHGAVNI-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.71
Rot. Bonds1

About 4-cyclohexyl-1,2-dihydroisoquinoline

4-cyclohexyl-1,2-dihydroisoquinoline (PubChem CID 134913525) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-cyclohexyl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name4-cyclohexyl-1,2-dihydroisoquinoline
PubChem CID134913525
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-cyclohexyl-1,2-dihydroisoquinoline
SMILESC1=C(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C15H19N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,1-3,6-7,10H2
InChIKeyKGEFXRTVHGAVNI-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2-dihydroisoquinoline?
The IUPAC name of 4-cyclohexyl-1,2-dihydroisoquinoline (CID 134913525) is 4-cyclohexyl-1,2-dihydroisoquinoline.
What is the SMILES notation for 4-cyclohexyl-1,2-dihydroisoquinoline?
The canonical SMILES for 4-cyclohexyl-1,2-dihydroisoquinoline is C1=C(C2CCCCC2)c2ccccc2CN1.
What is the InChIKey of 4-cyclohexyl-1,2-dihydroisoquinoline?
The InChIKey is KGEFXRTVHGAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h4-5,8-9,11-12,16H,1-3,6-7,10H2.
What are the key properties of 4-cyclohexyl-1,2-dihydroisoquinoline?
4-cyclohexyl-1,2-dihydroisoquinoline has a molecular weight of 213.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2-dihydroisoquinoline is sourced from PubChem (CID 134913525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).