1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]

C15H19N — CID 3122247

IUPAC1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCC1=NC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(16-12)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyUUAFDBIZVNOCOK-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.75
Rot. Bonds

About 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]

1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] (PubChem CID 3122247) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
PubChem CID3122247
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCC1=NC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(16-12)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyUUAFDBIZVNOCOK-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The IUPAC name of 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] (CID 3122247) is 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] is CC1=NC2(CCCCC2)Cc2ccccc21.
What is the InChIKey of 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The InChIKey is UUAFDBIZVNOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(16-12)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] has a molecular weight of 213.32 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 3122247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).