3-cyclohexylisoquinoline

C15H17N — CID 11333322

IUPAC3-cyclohexylisoquinoline
SMILESc1ccc2cc(C3CCCCC3)ncc2c1
InChIInChI=1S/C15H17N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-5,8-12H,1-3,6-7H2
InChIKeyLOEXEHUUJPMAPF-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.28
Rot. Bonds1

About 3-cyclohexylisoquinoline

3-cyclohexylisoquinoline (PubChem CID 11333322) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-cyclohexylisoquinoline.

Molecular Properties

Compound Name3-cyclohexylisoquinoline
PubChem CID11333322
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-cyclohexylisoquinoline
SMILESc1ccc2cc(C3CCCCC3)ncc2c1
InChIInChI=1S/C15H17N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-5,8-12H,1-3,6-7H2
InChIKeyLOEXEHUUJPMAPF-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexylisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylisoquinoline?
The IUPAC name of 3-cyclohexylisoquinoline (CID 11333322) is 3-cyclohexylisoquinoline.
What is the SMILES notation for 3-cyclohexylisoquinoline?
The canonical SMILES for 3-cyclohexylisoquinoline is c1ccc2cc(C3CCCCC3)ncc2c1.
What is the InChIKey of 3-cyclohexylisoquinoline?
The InChIKey is LOEXEHUUJPMAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-5,8-12H,1-3,6-7H2.
What are the key properties of 3-cyclohexylisoquinoline?
3-cyclohexylisoquinoline has a molecular weight of 211.31 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylisoquinoline is sourced from PubChem (CID 11333322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).