5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one

C16H33NO2 — CID 123202958

IUPAC5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one
SMILESCCCCC(C)(CCC(C)=O)OCCC(C)(C)NC
InChIInChI=1S/C16H33NO2/c1-7-8-10-16(5,11-9-14(2)18)19-13-12-15(3,4)17-6/h17H,7-13H2,1-6H3
InChIKeyTTXOISOVUVKWGB-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.71
Rot. Bonds11

About 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one

5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one (PubChem CID 123202958) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one.

Molecular Properties

Compound Name5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one
PubChem CID123202958
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one
SMILESCCCCC(C)(CCC(C)=O)OCCC(C)(C)NC
InChIInChI=1S/C16H33NO2/c1-7-8-10-16(5,11-9-14(2)18)19-13-12-15(3,4)17-6/h17H,7-13H2,1-6H3
InChIKeyTTXOISOVUVKWGB-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
CID 167219858
5-methyl-5-[3-methyl-3-[2-(propylamino)ethoxy]butoxy]hexan-2-one
CID 172602784
(5S)-5-methyl-5-propan-2-ylnonan-2-one
CID 157356592
9-heptoxy-9-methylhenicosane
CID 91127088
7,7-dimethyltridecan-2-one
CID 19931393
N,2,2-trimethylhexanamide
CID 87705334
N-[4-(5-hexyl-2,5-dimethyldodec-3-en-2-yl)oxy-2-methylbutan-2-yl]-2-(8-methylpentadecan-8-yloxy)acetamide
CID 167295362
4-(1-acetamido-3-methyl-6-sulfanylhexan-3-yl)oxy-N,2,2-trimethylbutanamide
CID 144955127
azane;[3-methyl-3-(pentanoylamino)butyl] acetate
CID 88780374
5-(3,3-dideuteriobutoxy)-9-hydroxy-5-methylnon-8-en-2-one;4,4,4-trideuteriobutan-2-one
CID 87229154
2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
CID 166943275

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one?
The IUPAC name of 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one (CID 123202958) is 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one.
What is the SMILES notation for 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one?
The canonical SMILES for 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one is CCCCC(C)(CCC(C)=O)OCCC(C)(C)NC.
What is the InChIKey of 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one?
The InChIKey is TTXOISOVUVKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-8-10-16(5,11-9-14(2)18)19-13-12-15(3,4)17-6/h17H,7-13H2,1-6H3.
What are the key properties of 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one?
5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one has a molecular weight of 271.44 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-methyl-3-(methylamino)butoxy]nonan-2-one is sourced from PubChem (CID 123202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).