7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one

C20H31NO — CID 71392244

IUPAC7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one
SMILESO=C1C2(CCCCC2)C(=NC2CCCCC2)C12CCCCC2
InChIInChI=1S/C20H31NO/c22-18-19(12-6-2-7-13-19)17(20(18)14-8-3-9-15-20)21-16-10-4-1-5-11-16/h16H,1-15H2
InChIKeyXFCROANAOZNRSP-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.24
Rot. Bonds1

About 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one

7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one (PubChem CID 71392244) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one.

Molecular Properties

Compound Name7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one
PubChem CID71392244
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one
SMILESO=C1C2(CCCCC2)C(=NC2CCCCC2)C12CCCCC2
InChIInChI=1S/C20H31NO/c22-18-19(12-6-2-7-13-19)17(20(18)14-8-3-9-15-20)21-16-10-4-1-5-11-16/h16H,1-15H2
InChIKeyXFCROANAOZNRSP-UHFFFAOYSA-N
XLogP5.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one?
The IUPAC name of 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one (CID 71392244) is 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one.
What is the SMILES notation for 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one?
The canonical SMILES for 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one is O=C1C2(CCCCC2)C(=NC2CCCCC2)C12CCCCC2.
What is the InChIKey of 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one?
The InChIKey is XFCROANAOZNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c22-18-19(12-6-2-7-13-19)17(20(18)14-8-3-9-15-20)21-16-10-4-1-5-11-16/h16H,1-15H2.
What are the key properties of 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one?
7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one has a molecular weight of 301.47 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyliminodispiro[5.1.58.16]tetradecan-14-one is sourced from PubChem (CID 71392244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).