3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one

C18H29NO — CID 79053642

IUPAC3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H29NO/c1-8-19(9-2)18(6,7)17(20)12-16-14(4)10-13(3)11-15(16)5/h10-11H,8-9,12H2,1-7H3
InChIKeyDHJBTXCGDMHGDG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds6

About 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one

3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 79053642) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID79053642
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H29NO/c1-8-19(9-2)18(6,7)17(20)12-16-14(4)10-13(3)11-15(16)5/h10-11H,8-9,12H2,1-7H3
InChIKeyDHJBTXCGDMHGDG-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one (CID 79053642) is 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one is CCN(CC)C(C)(C)C(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is DHJBTXCGDMHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-8-19(9-2)18(6,7)17(20)12-16-14(4)10-13(3)11-15(16)5/h10-11H,8-9,12H2,1-7H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one?
3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 275.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 79053642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).