4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one

C19H29NO — CID 10266085

IUPAC4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO/c1-4-18(21)19(14-15-20(2)3,17-12-8-9-13-17)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3
InChIKeyJEPMJVFEYZKSDL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.05
Rot. Bonds7

About 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one

4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one (PubChem CID 10266085) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one.

Molecular Properties

Compound Name4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
PubChem CID10266085
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO/c1-4-18(21)19(14-15-20(2)3,17-12-8-9-13-17)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3
InChIKeyJEPMJVFEYZKSDL-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
CID 116693617
N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
CID 18451590
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946
1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 71192200
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate
CID 21488081
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,2-diphenylpentan-3-one
CID 70793023
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one?
The IUPAC name of 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one (CID 10266085) is 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one.
What is the SMILES notation for 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one?
The canonical SMILES for 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one is CCC(=O)C(CCN(C)C)(c1ccccc1)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one?
The InChIKey is JEPMJVFEYZKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-18(21)19(14-15-20(2)3,17-12-8-9-13-17)16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3.
What are the key properties of 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one?
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one has a molecular weight of 287.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one is sourced from PubChem (CID 10266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).