6-(dimethylamino)-4,4-diphenylheptan-2-one

C21H27NO — CID 54516525

IUPAC6-(dimethylamino)-4,4-diphenylheptan-2-one
SMILESCC(=O)CC(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(22(3)4)15-21(16-18(2)23,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17H,15-16H2,1-4H3
InChIKeyYMULZGRFUQNWDT-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.29
Rot. Bonds7

About 6-(dimethylamino)-4,4-diphenylheptan-2-one

6-(dimethylamino)-4,4-diphenylheptan-2-one (PubChem CID 54516525) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylheptan-2-one
PubChem CID54516525
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-2-one
SMILESCC(=O)CC(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(22(3)4)15-21(16-18(2)23,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17H,15-16H2,1-4H3
InChIKeyYMULZGRFUQNWDT-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
CID 174656591
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
CID 67318933
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409
6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
CID 23616922
(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
CID 154665815

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-2-one?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-2-one (CID 54516525) is 6-(dimethylamino)-4,4-diphenylheptan-2-one.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylheptan-2-one?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylheptan-2-one is CC(=O)CC(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylheptan-2-one?
The InChIKey is YMULZGRFUQNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(22(3)4)15-21(16-18(2)23,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17H,15-16H2,1-4H3.
What are the key properties of 6-(dimethylamino)-4,4-diphenylheptan-2-one?
6-(dimethylamino)-4,4-diphenylheptan-2-one has a molecular weight of 309.45 g/mol, XLogP of 4.29, 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-diphenylheptan-2-one is sourced from PubChem (CID 54516525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).