1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one

C11H23NO2 — CID 58066271

IUPAC1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one
SMILESCOCCN(CC(C)=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(13)8-12(6-7-14-5)9-11(2,3)4/h6-9H2,1-5H3
InChIKeyMHGRYLBHDCSGGA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds6

About 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one

1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one (PubChem CID 58066271) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one
PubChem CID58066271
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one
SMILESCOCCN(CC(C)=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(13)8-12(6-7-14-5)9-11(2,3)4/h6-9H2,1-5H3
InChIKeyMHGRYLBHDCSGGA-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one?
The IUPAC name of 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one (CID 58066271) is 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one.
What is the SMILES notation for 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one?
The canonical SMILES for 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one is COCCN(CC(C)=O)CC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one?
The InChIKey is MHGRYLBHDCSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(13)8-12(6-7-14-5)9-11(2,3)4/h6-9H2,1-5H3.
What are the key properties of 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one?
1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropyl(2-methoxyethyl)amino]propan-2-one is sourced from PubChem (CID 58066271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).