4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one

C17H29NO — CID 54535785

IUPAC4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one
SMILESCCCCN(C=C1C=C(C)C(=O)C(C)C1)CCCC
InChIInChI=1S/C17H29NO/c1-5-7-9-18(10-8-6-2)13-16-11-14(3)17(19)15(4)12-16/h11,13,15H,5-10,12H2,1-4H3
InChIKeyYZRDWLHZSDQLIJ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.33
Rot. Bonds7

About 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one

4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one (PubChem CID 54535785) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one
PubChem CID54535785
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one
SMILESCCCCN(C=C1C=C(C)C(=O)C(C)C1)CCCC
InChIInChI=1S/C17H29NO/c1-5-7-9-18(10-8-6-2)13-16-11-14(3)17(19)15(4)12-16/h11,13,15H,5-10,12H2,1-4H3
InChIKeyYZRDWLHZSDQLIJ-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one (CID 54535785) is 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one is CCCCN(C=C1C=C(C)C(=O)C(C)C1)CCCC.
What is the InChIKey of 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one?
The InChIKey is YZRDWLHZSDQLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-9-18(10-8-6-2)13-16-11-14(3)17(19)15(4)12-16/h11,13,15H,5-10,12H2,1-4H3.
What are the key properties of 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one?
4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one has a molecular weight of 263.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methylidene]-2,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 54535785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).