1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one

C12H26N2O — CID 155296542

IUPAC1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one
SMILESCC(C)N(C)CC(=O)CNCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)14(6)8-11(15)7-13-9-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyUAJVTLFYIKAJMZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds6

About 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one

1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one (PubChem CID 155296542) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one
PubChem CID155296542
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one
SMILESCC(C)N(C)CC(=O)CNCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)14(6)8-11(15)7-13-9-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyUAJVTLFYIKAJMZ-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one (CID 155296542) is 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one is CC(C)N(C)CC(=O)CNCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one?
The InChIKey is UAJVTLFYIKAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14(6)8-11(15)7-13-9-12(3,4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one?
1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one has a molecular weight of 214.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)-3-[methyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 155296542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).