6-(dimethylamino)-4,4-diphenylhexan-3-one

C20H25NO — CID 10090

IUPAC6-(dimethylamino)-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3
InChIKeyWCJFBSYALHQBSK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.90
Rot. Bonds7

About 6-(dimethylamino)-4,4-diphenylhexan-3-one

6-(dimethylamino)-4,4-diphenylhexan-3-one (PubChem CID 10090) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylhexan-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylhexan-3-one
PubChem CID10090
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name6-(dimethylamino)-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3
InChIKeyWCJFBSYALHQBSK-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Isopropamide Iodide
CID 6284
(+)-Methadone
CID 643985
Isomethadone
CID 10072
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CID 10089
Fenpiverinium Bromide
CID 71489
Sameridine
CID 65996
Norpipanone
CID 22391

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylhexan-3-one?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylhexan-3-one (CID 10090) is 6-(dimethylamino)-4,4-diphenylhexan-3-one.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylhexan-3-one?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylhexan-3-one is CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylhexan-3-one?
The InChIKey is WCJFBSYALHQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 6-(dimethylamino)-4,4-diphenylhexan-3-one?
6-(dimethylamino)-4,4-diphenylhexan-3-one has a molecular weight of 295.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4,4-diphenylhexan-3-one is sourced from PubChem (CID 10090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).