1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one

C14H29NO3 — CID 159676352

IUPAC1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one
SMILESCNCCCC(=O)CCOCCOCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-14(2,3)12-18-11-10-17-9-7-13(16)6-5-8-15-4/h15H,5-12H2,1-4H3
InChIKeyKROACLUSKPFPRA-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.02
Rot. Bonds11

About 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one

1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one (PubChem CID 159676352) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one
PubChem CID159676352
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one
SMILESCNCCCC(=O)CCOCCOCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-14(2,3)12-18-11-10-17-9-7-13(16)6-5-8-15-4/h15H,5-12H2,1-4H3
InChIKeyKROACLUSKPFPRA-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate;methyl 4-(methylamino)butanoate
CID 162115968
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
3-[11-(methylamino)undecoxy]propanoic acid
CID 118279821
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
CID 161203588
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990
1-(3,3-dimethylbutoxy)-9-(3-methylbutoxy)nonane-4,6-dione;1-(4,4-dimethylpentoxy)-9-(2,2-dimethylpropoxy)nonane-3,5-dione
CID 159668133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one?
The IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one (CID 159676352) is 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one.
What is the SMILES notation for 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one?
The canonical SMILES for 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one is CNCCCC(=O)CCOCCOCC(C)(C)C.
What is the InChIKey of 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one?
The InChIKey is KROACLUSKPFPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-14(2,3)12-18-11-10-17-9-7-13(16)6-5-8-15-4/h15H,5-12H2,1-4H3.
What are the key properties of 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one?
1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one has a molecular weight of 259.39 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one is sourced from PubChem (CID 159676352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).