N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine

C22H25N — CID 101141885

IUPACN-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine
SMILESc1cc2ccc1CCc1ccc(cc1)/C(=N/C1CCCCC1)C2
InChIInChI=1S/C22H25N/c1-2-4-21(5-3-1)23-22-16-19-10-8-17(9-11-19)6-7-18-12-14-20(22)15-13-18/h8-15,21H,1-7,16H2/b23-22+
InChIKeyNYAJAEVRFDXNMR-GHVJWSGMSA-N
MW303.45 g/mol
LogP5.15
Rot. Bonds1

About N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine

N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine (PubChem CID 101141885) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine.

Molecular Properties

Compound NameN-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine
PubChem CID101141885
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine
SMILESc1cc2ccc1CCc1ccc(cc1)/C(=N/C1CCCCC1)C2
InChIInChI=1S/C22H25N/c1-2-4-21(5-3-1)23-22-16-19-10-8-17(9-11-19)6-7-18-12-14-20(22)15-13-18/h8-15,21H,1-7,16H2/b23-22+
InChIKeyNYAJAEVRFDXNMR-GHVJWSGMSA-N
XLogP5.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine?
The IUPAC name of N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine (CID 101141885) is N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine.
What is the SMILES notation for N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine?
The canonical SMILES for N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine is c1cc2ccc1CCc1ccc(cc1)/C(=N/C1CCCCC1)C2.
What is the InChIKey of N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine?
The InChIKey is NYAJAEVRFDXNMR-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H25N/c1-2-4-21(5-3-1)23-22-16-19-10-8-17(9-11-19)6-7-18-12-14-20(22)15-13-18/h8-15,21H,1-7,16H2/b23-22+.
What are the key properties of N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine?
N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine has a molecular weight of 303.45 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-2-imine is sourced from PubChem (CID 101141885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).