2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

C12H25N3O — CID 114536828

IUPAC2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCNC(C)(C)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-9-7-15(8-10(2)14(9)6)11(16)12(3,4)13-5/h9-10,13H,7-8H2,1-6H3
InChIKeyAJNKGUXDCWYIBH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds2

About 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 114536828) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
PubChem CID114536828
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCNC(C)(C)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-9-7-15(8-10(2)14(9)6)11(16)12(3,4)13-5/h9-10,13H,7-8H2,1-6H3
InChIKeyAJNKGUXDCWYIBH-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (CID 114536828) is 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is CNC(C)(C)C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is AJNKGUXDCWYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-7-15(8-10(2)14(9)6)11(16)12(3,4)13-5/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 114536828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).