6-cyclohexylimino-3,7-diethylnonan-4-one

C19H35NO — CID 170678649

IUPAC6-cyclohexylimino-3,7-diethylnonan-4-one
SMILESCCC(CC)C(=O)C/C(=N\C1CCCCC1)C(CC)CC
InChIInChI=1S/C19H35NO/c1-5-15(6-2)18(14-19(21)16(7-3)8-4)20-17-12-10-9-11-13-17/h15-17H,5-14H2,1-4H3/b20-18+
InChIKeyRYYHOSVXHYVNQR-CZIZESTLSA-N
MW293.50 g/mol
LogP5.59
Rot. Bonds9

About 6-cyclohexylimino-3,7-diethylnonan-4-one

6-cyclohexylimino-3,7-diethylnonan-4-one (PubChem CID 170678649) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-cyclohexylimino-3,7-diethylnonan-4-one.

Molecular Properties

Compound Name6-cyclohexylimino-3,7-diethylnonan-4-one
PubChem CID170678649
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name6-cyclohexylimino-3,7-diethylnonan-4-one
SMILESCCC(CC)C(=O)C/C(=N\C1CCCCC1)C(CC)CC
InChIInChI=1S/C19H35NO/c1-5-15(6-2)18(14-19(21)16(7-3)8-4)20-17-12-10-9-11-13-17/h15-17H,5-14H2,1-4H3/b20-18+
InChIKeyRYYHOSVXHYVNQR-CZIZESTLSA-N
XLogP5.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.59
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 6-cyclohexylimino-3,7-diethylnonan-4-one?
The IUPAC name of 6-cyclohexylimino-3,7-diethylnonan-4-one (CID 170678649) is 6-cyclohexylimino-3,7-diethylnonan-4-one.
What is the SMILES notation for 6-cyclohexylimino-3,7-diethylnonan-4-one?
The canonical SMILES for 6-cyclohexylimino-3,7-diethylnonan-4-one is CCC(CC)C(=O)C/C(=N\C1CCCCC1)C(CC)CC.
What is the InChIKey of 6-cyclohexylimino-3,7-diethylnonan-4-one?
The InChIKey is RYYHOSVXHYVNQR-CZIZESTLSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-15(6-2)18(14-19(21)16(7-3)8-4)20-17-12-10-9-11-13-17/h15-17H,5-14H2,1-4H3/b20-18+.
What are the key properties of 6-cyclohexylimino-3,7-diethylnonan-4-one?
6-cyclohexylimino-3,7-diethylnonan-4-one has a molecular weight of 293.50 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylimino-3,7-diethylnonan-4-one is sourced from PubChem (CID 170678649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).