2,6-bis(dimethylaminomethylidene)cyclohexan-1-one

C12H20N2O — CID 71375134

IUPAC2,6-bis(dimethylaminomethylidene)cyclohexan-1-one
SMILESCN(C)C=C1CCCC(=CN(C)C)C1=O
InChIInChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUUWJEBPGSNFMGW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds2

About 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one

2,6-bis(dimethylaminomethylidene)cyclohexan-1-one (PubChem CID 71375134) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2,6-bis(dimethylaminomethylidene)cyclohexan-1-one
PubChem CID71375134
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2,6-bis(dimethylaminomethylidene)cyclohexan-1-one
SMILESCN(C)C=C1CCCC(=CN(C)C)C1=O
InChIInChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUUWJEBPGSNFMGW-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one?
The IUPAC name of 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one (CID 71375134) is 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one.
What is the SMILES notation for 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one?
The canonical SMILES for 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one is CN(C)C=C1CCCC(=CN(C)C)C1=O.
What is the InChIKey of 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one?
The InChIKey is UUWJEBPGSNFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one?
2,6-bis(dimethylaminomethylidene)cyclohexan-1-one has a molecular weight of 208.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethylaminomethylidene)cyclohexan-1-one is sourced from PubChem (CID 71375134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).