4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one

C19H32N2O — CID 12613132

IUPAC4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
SMILESCN(C)C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)N(C)C
InChIInChI=1S/C19H32N2O/c1-18(2,3)14-11-13(17(20(7)8)21(9)10)12-15(16(14)22)19(4,5)6/h11-12H,1-10H3
InChIKeyNUVIUHGUDLISBX-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.85
Rot. Bonds2

About 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one

4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one (PubChem CID 12613132) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
PubChem CID12613132
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
SMILESCN(C)C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)N(C)C
InChIInChI=1S/C19H32N2O/c1-18(2,3)14-11-13(17(20(7)8)21(9)10)12-15(16(14)22)19(4,5)6/h11-12H,1-10H3
InChIKeyNUVIUHGUDLISBX-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Ditert-butyl-4-[diethylamino(piperidin-1-yl)methylidene]cyclohexa-2,5-dien-1-one
CID 12613138
2,6-Ditert-butyl-4-(1,3,5-trimethyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 101554151
2,6-Ditert-butyl-4-[1-methyl-3,5-di(propan-2-yl)-4-pyridinylidene]cyclohexa-2,5-dien-1-one
CID 101554153
2,6-Ditert-butyl-4-(3,5-diethyl-1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 102322525

Frequently Asked Questions

What is the IUPAC name of 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one (CID 12613132) is 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one is CN(C)C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)N(C)C.
What is the InChIKey of 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one?
The InChIKey is NUVIUHGUDLISBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-18(2,3)14-11-13(17(20(7)8)21(9)10)12-15(16(14)22)19(4,5)6/h11-12H,1-10H3.
What are the key properties of 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one?
4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one has a molecular weight of 304.48 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(dimethylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 12613132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).