6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one

C14H23NO — CID 54475737

IUPAC6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one
SMILESCC1=CC(=CN(C)C)CC(C(C)(C)C)C1=O
InChIInChI=1S/C14H23NO/c1-10-7-11(9-15(5)6)8-12(13(10)16)14(2,3)4/h7,9,12H,8H2,1-6H3
InChIKeyXLLHTOVTOXRMST-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds1

About 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one

6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one (PubChem CID 54475737) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one
PubChem CID54475737
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one
SMILESCC1=CC(=CN(C)C)CC(C(C)(C)C)C1=O
InChIInChI=1S/C14H23NO/c1-10-7-11(9-15(5)6)8-12(13(10)16)14(2,3)4/h7,9,12H,8H2,1-6H3
InChIKeyXLLHTOVTOXRMST-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
CID 5706948
(2E,6E)-2,6-bis[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]-4-methylcyclohexanone
CID 5718453
2,6-Di-tert-butyl-4-[2-(1-methylpyridin-4(1H)-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 22832079
2,6-Bis[3-(dimethylamino)-2-propen-1-ylidene]-3-methylcyclohexanone
CID 5337903
2,6-Ditert-butyl-4-(1,3-dimethyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 101554148
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
Prxxinpnffmkjv-mdzdmxlpsa-
CID 23266552
3-[2-(Dimethylamino)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
CID 2764803
2,6-Ditert-butyl-4-[(dimethylamino)methyl]cyclohexa-2,4-dien-1-one
CID 18475157
2,6-Ditert-butyl-4-(diethylaminomethyl)cyclohexa-2,4-dien-1-one
CID 18475158

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one (CID 54475737) is 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one is CC1=CC(=CN(C)C)CC(C(C)(C)C)C1=O.
What is the InChIKey of 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one?
The InChIKey is XLLHTOVTOXRMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-11(9-15(5)6)8-12(13(10)16)14(2,3)4/h7,9,12H,8H2,1-6H3.
What are the key properties of 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one?
6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(dimethylaminomethylidene)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 54475737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).