spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine

C12H15NO2 — CID 723336

IUPACspiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine
SMILESNc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C12H15NO2/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7,13H2
InChIKeyZGUHEEOHWIVGOA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.70
Rot. Bonds

About spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine

spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine (PubChem CID 723336) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine.

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine
PubChem CID723336
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namespiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine
SMILESNc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C12H15NO2/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7,13H2
InChIKeyZGUHEEOHWIVGOA-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine?
The IUPAC name of spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine (CID 723336) is spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine.
What is the SMILES notation for spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine?
The canonical SMILES for spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine is Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine?
The InChIKey is ZGUHEEOHWIVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7,13H2.
What are the key properties of spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine?
spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine has a molecular weight of 205.26 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine is sourced from PubChem (CID 723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).