(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one

C17H26N2O — CID 5337903

IUPAC(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one
SMILESCC1CC/C(=C\C=C\N(C)C)C(=O)/C1=C/C=C/N(C)C
InChIInChI=1S/C17H26N2O/c1-14-10-11-15(8-6-12-18(2)3)17(20)16(14)9-7-13-19(4)5/h6-9,12-14H,10-11H2,1-5H3/b12-6+,13-7+,15-8+,16-9+
InChIKeyFZWHTLJRASFMLX-QLKMABOHSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds4

About (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one

(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one (PubChem CID 5337903) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one
PubChem CID5337903
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one
SMILESCC1CC/C(=C\C=C\N(C)C)C(=O)/C1=C/C=C/N(C)C
InChIInChI=1S/C17H26N2O/c1-14-10-11-15(8-6-12-18(2)3)17(20)16(14)9-7-13-19(4)5/h6-9,12-14H,10-11H2,1-5H3/b12-6+,13-7+,15-8+,16-9+
InChIKeyFZWHTLJRASFMLX-QLKMABOHSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one (CID 5337903) is (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one is CC1CC/C(=C\C=C\N(C)C)C(=O)/C1=C/C=C/N(C)C.
What is the InChIKey of (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one?
The InChIKey is FZWHTLJRASFMLX-QLKMABOHSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-10-11-15(8-6-12-18(2)3)17(20)16(14)9-7-13-19(4)5/h6-9,12-14H,10-11H2,1-5H3/b12-6+,13-7+,15-8+,16-9+.
What are the key properties of (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one?
(2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[(E)-3-(dimethylamino)prop-2-enylidene]-3-methylcyclohexan-1-one is sourced from PubChem (CID 5337903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).