2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C17H25NO — CID 43795545

IUPAC2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1cc(C)c(C)cc1C)C1CC1
InChIInChI=1S/C17H25NO/c1-5-8-18(15-6-7-15)11-17(19)16-10-13(3)12(2)9-14(16)4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyFMBIMYCIMJJSOF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.67
Rot. Bonds6

About 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43795545) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43795545
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1cc(C)c(C)cc1C)C1CC1
InChIInChI=1S/C17H25NO/c1-5-8-18(15-6-7-15)11-17(19)16-10-13(3)12(2)9-14(16)4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyFMBIMYCIMJJSOF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 43795545) is 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is CCCN(CC(=O)c1cc(C)c(C)cc1C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is FMBIMYCIMJJSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-8-18(15-6-7-15)11-17(19)16-10-13(3)12(2)9-14(16)4/h9-10,15H,5-8,11H2,1-4H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43795545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).