3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one

C15H21NO — CID 142832825

IUPAC3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one
SMILESCNCCC(=O)C1(c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)15(9-3-10-15)14(17)8-11-16-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyPIQRYNBOIFCYGG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds5

About 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one

3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one (PubChem CID 142832825) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one
PubChem CID142832825
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one
SMILESCNCCC(=O)C1(c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)15(9-3-10-15)14(17)8-11-16-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyPIQRYNBOIFCYGG-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
CID 59019872
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
CID 59019691
1-[1-(4-methylphenyl)cyclobutyl]propane-1,2-dione
CID 122222517
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
2-[methoxy(methyl)phosphoryl]oxy-1-[1-(4-methylphenyl)cyclopentyl]ethanone
CID 91469396
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
N-methyl-2-[1-(4-methylphenyl)cyclopentyl]acetamide
CID 59020002
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one?
The IUPAC name of 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one (CID 142832825) is 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one?
The canonical SMILES for 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one is CNCCC(=O)C1(c2ccc(C)cc2)CCC1.
What is the InChIKey of 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one?
The InChIKey is PIQRYNBOIFCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)15(9-3-10-15)14(17)8-11-16-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one?
3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[1-(4-methylphenyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 142832825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).