6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one

C16H33NO3 — CID 146534659

IUPAC6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one
SMILESCC(C)(C)OC(C)(C)CCOC(C)(C)C(=O)CCCN
InChIInChI=1S/C16H33NO3/c1-14(2,3)20-15(4,5)10-12-19-16(6,7)13(18)9-8-11-17/h8-12,17H2,1-7H3
InChIKeyUSRYBKCBHFVXEU-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.07
Rot. Bonds9

About 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one

6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one (PubChem CID 146534659) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one.

Molecular Properties

Compound Name6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one
PubChem CID146534659
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one
SMILESCC(C)(C)OC(C)(C)CCOC(C)(C)C(=O)CCCN
InChIInChI=1S/C16H33NO3/c1-14(2,3)20-15(4,5)10-12-19-16(6,7)13(18)9-8-11-17/h8-12,17H2,1-7H3
InChIKeyUSRYBKCBHFVXEU-UHFFFAOYSA-N
XLogP3.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one
CID 142426761
7-Amino-2-methyl-2-[3-methyl-3-(2-methylpentan-2-yloxy)butoxy]heptan-3-one
CID 146534896
7-Amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]heptan-3-one
CID 146534916
1-(5-Amino-2-oxopentoxy)-3,3-dimethylbutan-2-one
CID 158123664
(6-Amino-2-methyl-3-oxohexan-2-yl) acetate
CID 159982746
[4-(6-Amino-2,4-dimethyl-3-oxohexan-2-yl)oxy-2-methylbutan-2-yl] 4-amino-2-methylbutanoate
CID 167239673
[4-(6-Amino-2,5-dimethyl-3-oxohexan-2-yl)oxy-2-methylbutan-2-yl] 4-amino-3-methylbutanoate
CID 167239674
[4-(6-Amino-2,5,5-trimethyl-3-oxohexan-2-yl)oxy-2-methylbutan-2-yl] 4-amino-3,3-dimethylbutanoate
CID 167239760
[4-(6-Amino-2-methyl-3-oxohexan-2-yl)oxy-2-methylbutan-2-yl] 4-aminobutanoate
CID 167239909
[4-(6-Amino-2,4,4-trimethyl-3-oxohexan-2-yl)oxy-2-methylbutan-2-yl] 4-amino-2,2-dimethylbutanoate
CID 167239919
5-Amino-1-ethoxy-3-methylpentan-2-one
CID 116594792
5-Amino-3-methyl-1-propoxypentan-2-one
CID 116594957

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one?
The IUPAC name of 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one (CID 146534659) is 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one.
What is the SMILES notation for 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one?
The canonical SMILES for 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one is CC(C)(C)OC(C)(C)CCOC(C)(C)C(=O)CCCN.
What is the InChIKey of 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one?
The InChIKey is USRYBKCBHFVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-14(2,3)20-15(4,5)10-12-19-16(6,7)13(18)9-8-11-17/h8-12,17H2,1-7H3.
What are the key properties of 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one?
6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one has a molecular weight of 287.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one is sourced from PubChem (CID 146534659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).