spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]

C15H21N — CID 141049949

IUPACspiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]
SMILESc1ccc2c(c1)CNC1(CCCCCC1)C2
InChIInChI=1S/C15H21N/c1-2-6-10-15(9-5-1)11-13-7-3-4-8-14(13)12-16-15/h3-4,7-8,16H,1-2,5-6,9-12H2
InChIKeyPLZBMWQCLYKRIY-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.43
Rot. Bonds

About spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]

spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane] (PubChem CID 141049949) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane].

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]
PubChem CID141049949
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Namespiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]
SMILESc1ccc2c(c1)CNC1(CCCCCC1)C2
InChIInChI=1S/C15H21N/c1-2-6-10-15(9-5-1)11-13-7-3-4-8-14(13)12-16-15/h3-4,7-8,16H,1-2,5-6,9-12H2
InChIKeyPLZBMWQCLYKRIY-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dizocilpine
CID 180081
1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
N-ethyl-1-phenylcyclohexanamine
CID 16622
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 100137
2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10464472
N-Methyl-1-phenylcyclohexylamine
CID 262910
7-Iodo-1,2,3,4-tetrahydroisoquinoline
CID 5288606

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]?
The IUPAC name of spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane] (CID 141049949) is spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane].
What is the SMILES notation for spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]?
The canonical SMILES for spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane] is c1ccc2c(c1)CNC1(CCCCCC1)C2.
What is the InChIKey of spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]?
The InChIKey is PLZBMWQCLYKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-6-10-15(9-5-1)11-13-7-3-4-8-14(13)12-16-15/h3-4,7-8,16H,1-2,5-6,9-12H2.
What are the key properties of spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]?
spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane] has a molecular weight of 215.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane] is sourced from PubChem (CID 141049949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).