5-cyclooctylimino-3,3-dimethylcyclohexan-1-one

C16H27NO — CID 7307159

IUPAC5-cyclooctylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCCCC2)C1
InChIInChI=1S/C16H27NO/c1-16(2)11-14(10-15(18)12-16)17-13-8-6-4-3-5-7-9-13/h13H,3-12H2,1-2H3/b17-14+
InChIKeyRXWWBLBRNYONQN-SAPNQHFASA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds1

About 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one

5-cyclooctylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 7307159) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cyclooctylimino-3,3-dimethylcyclohexan-1-one
PubChem CID7307159
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-cyclooctylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCCCC2)C1
InChIInChI=1S/C16H27NO/c1-16(2)11-14(10-15(18)12-16)17-13-8-6-4-3-5-7-9-13/h13H,3-12H2,1-2H3/b17-14+
InChIKeyRXWWBLBRNYONQN-SAPNQHFASA-N
XLogP4.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.32
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 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one (CID 7307159) is 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CCCCCCC2)C1.
What is the InChIKey of 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is RXWWBLBRNYONQN-SAPNQHFASA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2)11-14(10-15(18)12-16)17-13-8-6-4-3-5-7-9-13/h13H,3-12H2,1-2H3/b17-14+.
What are the key properties of 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one?
5-cyclooctylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 249.40 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 7307159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).