1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one

C11H23NO3 — CID 134579713

IUPAC1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
SMILESCCCN(C)CCOCCOCC(C)=O
InChIInChI=1S/C11H23NO3/c1-4-5-12(3)6-7-14-8-9-15-10-11(2)13/h4-10H2,1-3H3
InChIKeyKQUHNSXSMZDUCK-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.95
Rot. Bonds10

About 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one

1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one (PubChem CID 134579713) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
PubChem CID134579713
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
SMILESCCCN(C)CCOCCOCC(C)=O
InChIInChI=1S/C11H23NO3/c1-4-5-12(3)6-7-14-8-9-15-10-11(2)13/h4-10H2,1-3H3
InChIKeyKQUHNSXSMZDUCK-UHFFFAOYSA-N
XLogP0.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
CID 20706497
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 168959920
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one (CID 134579713) is 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one is CCCN(C)CCOCCOCC(C)=O.
What is the InChIKey of 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one?
The InChIKey is KQUHNSXSMZDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-12(3)6-7-14-8-9-15-10-11(2)13/h4-10H2,1-3H3.
What are the key properties of 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one?
1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 0.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 134579713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).