6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine

C27H36N2O2 — CID 175330343

IUPAC6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine
SMILESCCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C.CO.c1ccncc1
InChIInChI=1S/C21H27NO.C5H5N.CH4O/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-4-6-5-3-1;1-2/h6-15,17H,5,16H2,1-4H3;1-5H;2H,1H3
InChIKeyCJPCGMMMLFUSNE-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.84
Rot. Bonds7

About 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine

6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine (PubChem CID 175330343) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine.

Molecular Properties

Compound Name6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine
PubChem CID175330343
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine
SMILESCCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C.CO.c1ccncc1
InChIInChI=1S/C21H27NO.C5H5N.CH4O/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-4-6-5-3-1;1-2/h6-15,17H,5,16H2,1-4H3;1-5H;2H,1H3
InChIKeyCJPCGMMMLFUSNE-UHFFFAOYSA-N
XLogP4.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(2S)-2-methyl-4-oxo-3,3-diphenylhexyl]amino]ethyl nitrate
CID 154665941
(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one
CID 154665797
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
methylidene-[(2R)-2-methyl-4-oxo-3,3-diphenylhexyl]-(2-nitrooxyethyl)azanium
CID 164732610
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
CID 15329
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;formaldehyde
CID 175270994
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,2-diphenylpentan-3-one
CID 70793023

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine?
The IUPAC name of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine (CID 175330343) is 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine.
What is the SMILES notation for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine?
The canonical SMILES for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine is CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C.CO.c1ccncc1.
What is the InChIKey of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine?
The InChIKey is CJPCGMMMLFUSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.C5H5N.CH4O/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-4-6-5-3-1;1-2/h6-15,17H,5,16H2,1-4H3;1-5H;2H,1H3.
What are the key properties of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine?
6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine has a molecular weight of 420.60 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine is sourced from PubChem (CID 175330343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).