4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one

C10H21NO2 — CID 66453162

IUPAC4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C10H21NO2/c1-9(12)10(2,3)8-11(4)6-7-13-5/h6-8H2,1-5H3
InChIKeyAAJDYGYIVNPJEU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds6

About 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one

4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 66453162) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
PubChem CID66453162
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C10H21NO2/c1-9(12)10(2,3)8-11(4)6-7-13-5/h6-8H2,1-5H3
InChIKeyAAJDYGYIVNPJEU-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

1-[2-methoxyethyl(methyl)amino]-2-methylpropan-2-ol
CID 61427444
4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453152
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-ol
CID 66452834
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
1-N-(2-methoxyethyl)-1-N,2-dimethylpentane-1,2-diamine
CID 61428179
ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol
CID 145060471
1-[2-methoxyethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336062
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one (CID 66453162) is 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one is COCCN(C)CC(C)(C)C(C)=O.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is AAJDYGYIVNPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(12)10(2,3)8-11(4)6-7-13-5/h6-8H2,1-5H3.
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one?
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66453162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).