2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone

C17H28N2O — CID 63699719

IUPAC2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)CCCN(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-13-10-15(3)16(11-14(13)2)17(20)12-19(6)9-7-8-18(4)5/h10-11H,7-9,12H2,1-6H3
InChIKeyVUJSWIUYTAPFIU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone

2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 63699719) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID63699719
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)CCCN(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-13-10-15(3)16(11-14(13)2)17(20)12-19(6)9-7-8-18(4)5/h10-11H,7-9,12H2,1-6H3
InChIKeyVUJSWIUYTAPFIU-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone (CID 63699719) is 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(C)CCCN(C)C)cc1C.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is VUJSWIUYTAPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-15(3)16(11-14(13)2)17(20)12-19(6)9-7-8-18(4)5/h10-11H,7-9,12H2,1-6H3.
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 63699719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).