2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one

C19H29NO — CID 63482293

IUPAC2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
SMILESCC1CCC(N(C)CC(C)(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3
InChIKeyWQBZYLCLCRUGSX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.41
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one

2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one (PubChem CID 63482293) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
PubChem CID63482293
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
SMILESCC1CCC(N(C)CC(C)(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3
InChIKeyWQBZYLCLCRUGSX-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193414
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
benzoic acid;methylcyclopentane
CID 68907828
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one (CID 63482293) is 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one is CC1CCC(N(C)CC(C)(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one?
The InChIKey is WQBZYLCLCRUGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one?
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 63482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).