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

C17H25NO — CID 61437237

IUPAC1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
SMILESCC1CCC(N(C)CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-14-8-10-16(11-9-14)18(2)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyUZYDLVRGFSKFDQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.31
Rot. Bonds5

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

1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one (PubChem CID 61437237) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
PubChem CID61437237
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
SMILESCC1CCC(N(C)CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-14-8-10-16(11-9-14)18(2)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyUZYDLVRGFSKFDQ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
CID 79396284
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
3-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437232

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one (CID 61437237) is 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one is CC1CCC(N(C)CC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one?
The InChIKey is UZYDLVRGFSKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-8-10-16(11-9-14)18(2)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one?
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 61437237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).