1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one

C10H21NO2 — CID 59441660

IUPAC1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)9(12)8-11(4)6-7-13-5/h6-8H2,1-5H3
InChIKeyHWWQNXHPHMCEJD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds5

About 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one

1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 59441660) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
PubChem CID59441660
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)9(12)8-11(4)6-7-13-5/h6-8H2,1-5H3
InChIKeyHWWQNXHPHMCEJD-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58562053
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CID 59109288
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CID 59303680
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CID 59441612
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CID 59854550
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CID 60090434
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CID 60649748
CID 60649748

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one (CID 59441660) is 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one is COCCN(C)CC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is HWWQNXHPHMCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)9(12)8-11(4)6-7-13-5/h6-8H2,1-5H3.
What are the key properties of 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 59441660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).