1-amino-3-methoxy-3-methylbutan-2-one

C6H13NO2 — CID 103022654

IUPAC1-amino-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)CN
InChIInChI=1S/C6H13NO2/c1-6(2,9-3)5(8)4-7/h4,7H2,1-3H3
InChIKeyVKESTBQHKQSGBZ-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.06
Rot. Bonds3

About 1-amino-3-methoxy-3-methylbutan-2-one

1-amino-3-methoxy-3-methylbutan-2-one (PubChem CID 103022654) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-amino-3-methoxy-3-methylbutan-2-one.

Molecular Properties

Compound Name1-amino-3-methoxy-3-methylbutan-2-one
PubChem CID103022654
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-amino-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)CN
InChIInChI=1S/C6H13NO2/c1-6(2,9-3)5(8)4-7/h4,7H2,1-3H3
InChIKeyVKESTBQHKQSGBZ-UHFFFAOYSA-N
XLogP-0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
1-chloro-3-methoxy-3-methylbutan-2-one
CID 12922156
2-methoxy-2,5,5-trimethylhexan-3-one
CID 159398814
2-methoxy-2,6,6-trimethylheptan-3-one
CID 79196927
1,1,5-trimethoxy-5-methylhexane-2,4-dione
CID 165484291
2-methoxy-2-methylpropanoate
CID 21283494
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103021572
ethyl 5-methoxy-5-methyl-2-(2-methylpropanoyl)-4-oxohexanoate
CID 165482911
1-amino-3-(disulfanyl)-3-methylbutan-2-one
CID 166803103
N-(2-aminoethyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103017411
3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one
CID 165475193
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
CID 106357251

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methoxy-3-methylbutan-2-one?
The IUPAC name of 1-amino-3-methoxy-3-methylbutan-2-one (CID 103022654) is 1-amino-3-methoxy-3-methylbutan-2-one.
What is the SMILES notation for 1-amino-3-methoxy-3-methylbutan-2-one?
The canonical SMILES for 1-amino-3-methoxy-3-methylbutan-2-one is COC(C)(C)C(=O)CN.
What is the InChIKey of 1-amino-3-methoxy-3-methylbutan-2-one?
The InChIKey is VKESTBQHKQSGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,9-3)5(8)4-7/h4,7H2,1-3H3.
What are the key properties of 1-amino-3-methoxy-3-methylbutan-2-one?
1-amino-3-methoxy-3-methylbutan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxy-3-methylbutan-2-one is sourced from PubChem (CID 103022654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).