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

C9H19NO2 — CID 20706497

IUPAC1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
SMILESCCCN(C)CCOCC(C)=O
InChIInChI=1S/C9H19NO2/c1-4-5-10(3)6-7-12-8-9(2)11/h4-8H2,1-3H3
InChIKeyXZOQITYTFDQPAB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds7

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

1-[2-[methyl(propyl)amino]ethoxy]propan-2-one (PubChem CID 20706497) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
PubChem CID20706497
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
SMILESCCCN(C)CCOCC(C)=O
InChIInChI=1S/C9H19NO2/c1-4-5-10(3)6-7-12-8-9(2)11/h4-8H2,1-3H3
InChIKeyXZOQITYTFDQPAB-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
CID 134579713
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
1-hexadecoxypropan-2-one
CID 15701879
1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
CID 142389541
1-[5-(dimethylamino)pentoxy]propan-2-one
CID 118445875
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
N,N-dibutyl-2-[2-[ethyl(methyl)amino]ethoxy]acetamide
CID 175987173
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
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
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one (CID 20706497) is 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one is CCCN(C)CCOCC(C)=O.
What is the InChIKey of 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one?
The InChIKey is XZOQITYTFDQPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-10(3)6-7-12-8-9(2)11/h4-8H2,1-3H3.
What are the key properties of 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one?
1-[2-[methyl(propyl)amino]ethoxy]propan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propyl)amino]ethoxy]propan-2-one is sourced from PubChem (CID 20706497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).