spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine

C20H21N — CID 67994387

IUPACspiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
SMILESNc1ccc2cc3c(cc2c1)CCCC31CC2=CCC1C2
InChIInChI=1S/C20H21N/c21-18-6-4-14-11-19-15(9-16(14)10-18)2-1-7-20(19)12-13-3-5-17(20)8-13/h3-4,6,9-11,17H,1-2,5,7-8,12,21H2
InChIKeyLHRWCHNYLNSYJC-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.74
Rot. Bonds

About spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine

spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine (PubChem CID 67994387) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine.

Molecular Properties

Compound Namespiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
PubChem CID67994387
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Namespiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
SMILESNc1ccc2cc3c(cc2c1)CCCC31CC2=CCC1C2
InChIInChI=1S/C20H21N/c21-18-6-4-14-11-19-15(9-16(14)10-18)2-1-7-20(19)12-13-3-5-17(20)8-13/h3-4,6,9-11,17H,1-2,5,7-8,12,21H2
InChIKeyLHRWCHNYLNSYJC-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine?
The IUPAC name of spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine (CID 67994387) is spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine.
What is the SMILES notation for spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine?
The canonical SMILES for spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine is Nc1ccc2cc3c(cc2c1)CCCC31CC2=CCC1C2.
What is the InChIKey of spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine?
The InChIKey is LHRWCHNYLNSYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-18-6-4-14-11-19-15(9-16(14)10-18)2-1-7-20(19)12-13-3-5-17(20)8-13/h3-4,6,9-11,17H,1-2,5,7-8,12,21H2.
What are the key properties of spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine?
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine has a molecular weight of 275.40 g/mol, XLogP of 4.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine is sourced from PubChem (CID 67994387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).