5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

C15H21NO — CID 82128708

IUPAC5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCOc1cccc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHSJUASITEWSTMV-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds1

About 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (PubChem CID 82128708) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].

Molecular Properties

Compound Name5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
PubChem CID82128708
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCOc1cccc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHSJUASITEWSTMV-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The IUPAC name of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (CID 82128708) is 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].
What is the SMILES notation for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The canonical SMILES for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is COc1cccc2c1C1(CCCCC1)CNC2.
What is the InChIKey of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The InChIKey is HSJUASITEWSTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3.
What are the key properties of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] has a molecular weight of 231.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is sourced from PubChem (CID 82128708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).