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

C14H17N — CID 54132846

IUPACspiro[4H-isoquinoline-1,1'-cyclohexane]
SMILESC1=NC2(CCCCC2)c2ccccc2C1
InChIInChI=1S/C14H17N/c1-4-9-14(10-5-1)13-7-3-2-6-12(13)8-11-15-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyNVOHUKWBNZJNTL-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.47
Rot. Bonds

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

spiro[4H-isoquinoline-1,1'-cyclohexane] (PubChem CID 54132846) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is spiro[4H-isoquinoline-1,1'-cyclohexane].

Molecular Properties

Compound Namespiro[4H-isoquinoline-1,1'-cyclohexane]
PubChem CID54132846
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Namespiro[4H-isoquinoline-1,1'-cyclohexane]
SMILESC1=NC2(CCCCC2)c2ccccc2C1
InChIInChI=1S/C14H17N/c1-4-9-14(10-5-1)13-7-3-2-6-12(13)8-11-15-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyNVOHUKWBNZJNTL-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[4H-isoquinoline-1,1'-cyclohexane] 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 spiro[4H-isoquinoline-1,1'-cyclohexane]?
The IUPAC name of spiro[4H-isoquinoline-1,1'-cyclohexane] (CID 54132846) is spiro[4H-isoquinoline-1,1'-cyclohexane].
What is the SMILES notation for spiro[4H-isoquinoline-1,1'-cyclohexane]?
The canonical SMILES for spiro[4H-isoquinoline-1,1'-cyclohexane] is C1=NC2(CCCCC2)c2ccccc2C1.
What is the InChIKey of spiro[4H-isoquinoline-1,1'-cyclohexane]?
The InChIKey is NVOHUKWBNZJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-9-14(10-5-1)13-7-3-2-6-12(13)8-11-15-14/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of spiro[4H-isoquinoline-1,1'-cyclohexane]?
spiro[4H-isoquinoline-1,1'-cyclohexane] has a molecular weight of 199.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-isoquinoline-1,1'-cyclohexane] is sourced from PubChem (CID 54132846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).