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

C14H17N — CID 4137907

IUPACspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESC1=NC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C14H17N/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-15-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyUPBXRBOGCLETCS-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.36
Rot. Bonds

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

spiro[4H-isoquinoline-3,1'-cyclohexane] (PubChem CID 4137907) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is spiro[4H-isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Namespiro[4H-isoquinoline-3,1'-cyclohexane]
PubChem CID4137907
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Namespiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESC1=NC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C14H17N/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-15-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyUPBXRBOGCLETCS-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-isoquinoline-3,1'-cyclohexane]?
The IUPAC name of spiro[4H-isoquinoline-3,1'-cyclohexane] (CID 4137907) is spiro[4H-isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for spiro[4H-isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for spiro[4H-isoquinoline-3,1'-cyclohexane] is C1=NC2(CCCCC2)Cc2ccccc21.
What is the InChIKey of spiro[4H-isoquinoline-3,1'-cyclohexane]?
The InChIKey is UPBXRBOGCLETCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-15-14/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of spiro[4H-isoquinoline-3,1'-cyclohexane]?
spiro[4H-isoquinoline-3,1'-cyclohexane] has a molecular weight of 199.30 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 4137907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).