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

C20H21N — CID 67993586

IUPACspiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
SMILESNc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2
InChIInChI=1S/C20H21N/c21-19-3-1-2-15-9-14-6-7-20(12-16(14)10-18(15)19)11-13-4-5-17(20)8-13/h1-4,9-10,17H,5-8,11-12,21H2
InChIKeyJQTASOLCTHLNRR-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.64
Rot. Bonds

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

spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine (PubChem CID 67993586) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine.

Molecular Properties

Compound Namespiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
PubChem CID67993586
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Namespiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
SMILESNc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2
InChIInChI=1S/C20H21N/c21-19-3-1-2-15-9-14-6-7-20(12-16(14)10-18(15)19)11-13-4-5-17(20)8-13/h1-4,9-10,17H,5-8,11-12,21H2
InChIKeyJQTASOLCTHLNRR-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.64
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[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine?
The IUPAC name of spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine (CID 67993586) is spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine.
What is the SMILES notation for spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine?
The canonical SMILES for spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine is Nc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2.
What is the InChIKey of spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine?
The InChIKey is JQTASOLCTHLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-19-3-1-2-15-9-14-6-7-20(12-16(14)10-18(15)19)11-13-4-5-17(20)8-13/h1-4,9-10,17H,5-8,11-12,21H2.
What are the key properties of spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine?
spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine is sourced from PubChem (CID 67993586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).