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

C17H25NO — CID 61446057

IUPAC1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H25NO/c1-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyCMUNLSNJRYMQAO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.31
Rot. Bonds6

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

1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one (PubChem CID 61446057) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
PubChem CID61446057
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
SMILESCN(CC(=O)Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H25NO/c1-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3
InChIKeyCMUNLSNJRYMQAO-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
1-(2-fluorophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-one
CID 63236723
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one (CID 61446057) is 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one is CN(CC(=O)Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one?
The InChIKey is CMUNLSNJRYMQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3.
What are the key properties of 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one?
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 61446057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).