6-amino-1-butoxy-4-methylhexan-2-one

C11H23NO2 — CID 89258981

IUPAC6-amino-1-butoxy-4-methylhexan-2-one
SMILESCCCCOCC(=O)CC(C)CCN
InChIInChI=1S/C11H23NO2/c1-3-4-7-14-9-11(13)8-10(2)5-6-12/h10H,3-9,12H2,1-2H3
InChIKeyMHGXHXCRUSYOFY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.75
Rot. Bonds9

About 6-amino-1-butoxy-4-methylhexan-2-one

6-amino-1-butoxy-4-methylhexan-2-one (PubChem CID 89258981) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-amino-1-butoxy-4-methylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-butoxy-4-methylhexan-2-one
PubChem CID89258981
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-amino-1-butoxy-4-methylhexan-2-one
SMILESCCCCOCC(=O)CC(C)CCN
InChIInChI=1S/C11H23NO2/c1-3-4-7-14-9-11(13)8-10(2)5-6-12/h10H,3-9,12H2,1-2H3
InChIKeyMHGXHXCRUSYOFY-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-1-ethoxy-5-methylhexan-2-one
CID 57042231
2-oxopropyl (2S)-6-amino-2-methylhexanoate
CID 59070671
1-[2-(2-Aminoethoxy)ethoxy]-4-methylhexan-2-one
CID 123252218
1-Amino-5-methyl-1-propoxyhexan-2-one
CID 140983394
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
7-Amino-2-ethoxy-2-methylheptan-3-one
CID 146555054
(3R)-1-(6-aminohexoxy)-3,5-dimethylhexan-2-one
CID 160839342
1-Amino-2-ethoxy-2,4-dimethylhexan-3-one
CID 166723451
3-Methyl-1-[5-(methylamino)pentoxy]hexan-2-one
CID 169971987
3-Amino-1-ethoxy-5-methylhexan-2-one
CID 54161145
1-(2-Aminoethoxy)-3-methylhexan-2-one
CID 107890211

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butoxy-4-methylhexan-2-one?
The IUPAC name of 6-amino-1-butoxy-4-methylhexan-2-one (CID 89258981) is 6-amino-1-butoxy-4-methylhexan-2-one.
What is the SMILES notation for 6-amino-1-butoxy-4-methylhexan-2-one?
The canonical SMILES for 6-amino-1-butoxy-4-methylhexan-2-one is CCCCOCC(=O)CC(C)CCN.
What is the InChIKey of 6-amino-1-butoxy-4-methylhexan-2-one?
The InChIKey is MHGXHXCRUSYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-7-14-9-11(13)8-10(2)5-6-12/h10H,3-9,12H2,1-2H3.
What are the key properties of 6-amino-1-butoxy-4-methylhexan-2-one?
6-amino-1-butoxy-4-methylhexan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butoxy-4-methylhexan-2-one is sourced from PubChem (CID 89258981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).